Home Cart 0 Sign in  
X

[ CAS No. 1260243-04-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1260243-04-6
Chemical Structure| 1260243-04-6
Chemical Structure| 1260243-04-6
Structure of 1260243-04-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1260243-04-6 ]

Related Doc. of [ 1260243-04-6 ]

Alternatived Products of [ 1260243-04-6 ]

Product Details of [ 1260243-04-6 ]

CAS No. :1260243-04-6 MDL No. :MFCD00114562
Formula : C6H9N3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :YPXGHKWOJXQLQU-UHFFFAOYSA-N
M.W : 155.15 Pubchem ID :81472
Synonyms :

Calculated chemistry of [ 1260243-04-6 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.33
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 39.08
TPSA : 81.0 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.79 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.86
Log Po/w (XLOGP3) : 0.64
Log Po/w (WLOGP) : 0.18
Log Po/w (MLOGP) : -0.18
Log Po/w (SILICOS-IT) : 0.39
Consensus Log Po/w : 0.38

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.34
Solubility : 7.03 mg/ml ; 0.0453 mol/l
Class : Very soluble
Log S (Ali) : -1.92
Solubility : 1.88 mg/ml ; 0.0121 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.34
Solubility : 7.04 mg/ml ; 0.0454 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.71

Safety of [ 1260243-04-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1260243-04-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 1260243-04-6 ]
  • Downstream synthetic route of [ 1260243-04-6 ]

[ 1260243-04-6 ] Synthesis Path-Upstream   1~11

  • 1
  • [ 1260243-04-6 ]
  • [ 58347-48-1 ]
Reference: [1] Journal of Medicinal Chemistry, 1981, vol. 24, # 5, p. 610 - 613
  • 2
  • [ 94-05-3 ]
  • [ 1260243-04-6 ]
YieldReaction ConditionsOperation in experiment
66.78% With hydrazine In ethanol for 4 h; Reflux Ethylmethyloxymethyl nitrile ethyl acetate (68 g, 0.4 mol) was added to a vessel containing 200 mL of absolute ethanol; After 100 mL of hydrazine hydrate was added dropwise to the vessel, the vessel was placed in an electrothermal device and gradually heated to 80 ° C over a period of 30 minutes to give a mixture A; The mixture A was heated to reflux and refluxed for 4 hours. The ethanol was distilled off under reduced pressure and the remaining solid was evaporated. The solid was cooled to stand to precipitate a pale yellow solid which was filtered, washed and dried to give the intermediate 5-amino-lH-pyrazole-4-carboxylic acid ethyl ester. The article used in the washing process was cold Anhydrous ethanol. The product The mass of ethyl 5-amino-1H-pyrazole-4-carboxylate was 41.68 g. Yield: 66.78percent
66.78% With hydrazine hydrate In ethanol at 80℃; for 4.5 h; 1.1) ethyl(ethoxymethylene)cyanoacetate (68 g, 0.4 mol) was added to a vessel containing 200 mL of absolute ethanol;1.2) 100mL hydrated hydrazine was added to the container,Placing the container in an electric heating device,In the 30-minute range gradually heated to 80°C ,To obtain a mixture A;1.3) The mixture A was heated to reflux,After 4 hours of refluxing,Distillation of ethanol, residual solids;1.4) The solid was cooled to stand to precipitate a pale yellow solid,The light yellow solid was filtered, washed, dried,To give ethyl 5-amino-lH-pyrazole-4-carboxylate;The articles used in the washing process are cold ethanol.The mass of the product 5-amino-lH-pyrazole-4-carboxylate was 41.68 g. Yield: 66.78percent
66.78% With hydrazine hydrate In ethanol at 80℃; for 4.5 h; 1.1) ethyl(ethoxymethylene)cyanoacetate(68 g, 0.4 mol) was added to a vessel containing 200 mL of absolute ethanolin;1.2) After 100 mL of hydrazine hydrate was added to the vessel, the vessel was placed in an electric heating apparatus and gradually heated to 80 ° C over a period of 30 minutes to obtain a mixture A;1.3) The mixture A was heated to reflux and refluxed for 4 hours. The ethanol was evaporated under reduced pressure and the remaining solid was evaporated.1.4) The solid was cooled to stand to precipitate a pale yellow solid which was filtered, washed, dried,To give ethyl 5-amino-lH-pyrazole-4-carboxylate;The articles used in the washing process are cold ethanol.The mass of the product 5-amino-1H-pyrazole-4-carboxylatewas 41.68 g.Yield: 66.78percent
66.78%
Stage #1: With hydrazine hydrate In ethanol at 80℃; for 0.5 h;
Stage #2: for 4 h; Reflux
Ethoxymethylenenitrile ethyl acetate (68 g, 0.4 mol) was added to a vessel containing 200 mL of absolute ethanol;100mL of hydrazine hydrate drops into the container, the container is placed in an electric heating device, within a 30-minute range gradually warmed to 80 , to obtain a mixture A;The mixture A was heated to reflux, refluxed for 4 hours, vacuum distillation of ethanol, the remaining solids;The solid was allowed to cool to leave a pale yellow solid which was filtered, washed, dried,To obtain the intermediate ethyl 5-amino-1H-pyrazole-4-carboxylate;The washing process uses cold anhydrous ethanol.The product, 5-amino-1H-pyrazole-4-carboxylic acid ethyl ester, had a mass of 41.68 g. Yield: 66.78percent
66.78%
Stage #1: With hydrazine hydrate In ethanol at 80℃; for 0.5 h;
Stage #2: for 4 h; Reflux
1.1)Ethoxymethylenenitrile ethyl acetate(68 g, 0.4 mol) was added to a vessel containing 200 mL of absolute ethanolin;1.2) 100mL hydrazine hydrate drops into the container, the container is placed in the electric device, gradually within 30 minutesThe temperature was raised to 80 ° C to obtain a mixture A1;1.3) The mixture A1 was heated to reflux, reflux for 4 hours, vacuum distillation of ethanol, the remaining solids;1.4) The solid was allowed to cool to leave a pale yellow solid which was filtered, washed and dried to give5-amino-1H-pyrazole-4-carboxylic acid ethyl ester;The washing process uses cold anhydrous ethanol.The product, 5-amino-1H-pyrazole-4-carboxylic acid ethyl ester, had a mass of 41.68 g. Yield: 66.78percent
66.78% With hydrazine hydrate In ethanol at 80℃; for 4.5 h; 1.1) Ethoxymethylenenitrile ethyl acetate (68 g, 0.4 mol) was added to a vessel containing 200 mL of absolute ethanol;1.2) 100mL hydrazine hydrate drops into the container, the container is placed in an electric device,In a 30-minute range gradually warmed to 80 ° C, to obtain a mixture A;1.3) The mixture A was heated to reflux, reflux for 4 hours, vacuum distillation of ethanol, the remaining solids;1.4) The solid was allowed to cool to leave a pale yellow solid which was filtered, washed and dried to give5-amino-1H-pyrazole-4-carboxylic acid ethyl ester; the washing process used cold anhydrous ethanol. The product, 5-amino-1H-pyrazole-4-carboxylic acid ethyl ester, had a mass of 41.68 g. Yield: 66.78percent
52% With hydrazine hydrate In ethanol for 3 h; Reflux Step 2.
Ethyl 5-amino-1H-pyrazole-4-carboxylate
A solution of ethyl 2-cyano-3-ethoxyacrylate (21 g, 86.98 mmol, 1.00 equiv, 70percent) and hydrazine hydrate (11 g, 176.00 mmol, 2.02 equiv, 80percent) in ethanol (150 mL) was heated to reflux for 3 hours.
The resulting mixture was concentrated under vacuum.
The residue was dissolved in 100 mL of dichloromethane.
The organic layer was washed with 3*50 mL of water and dried over sodium sulfate, then concentrated under vacuum.
This resulted in 7.2 g (52percent) of ethyl 5-amino-1H-pyrazole-4-carboxylate as a yellow solid.
LC-MS: (ES, m/z): 156 [M+H]+
1H-NMR (300 MHz, CDCl3, ppm): 7.75 (s, 1H), 6.53 (s, 1H), 4.31-4.26 (q, J=5.4 Hz, 2H), 1.37-1.32 (t, J=5.4 Hz, 3H)

Reference: [1] Patent: CN105949202, 2016, A, . Location in patent: Paragraph 0048-0053
[2] Patent: CN106008517, 2016, A, . Location in patent: Paragraph 0048; 0049; 0050; 0051; 0052; 0053
[3] Patent: CN106008519, 2016, A, . Location in patent: Paragraph 0048; 0049; 0050; 0051; 0052; 0053
[4] Patent: CN105949199, 2016, A, . Location in patent: Paragraph 0047-0052
[5] Patent: CN105949200, 2016, A, . Location in patent: Page/Page column 6; 7; 23
[6] Patent: CN105949201, 2016, A, . Location in patent: Paragraph 0048-0053
[7] Patent: US2012/277224, 2012, A1, . Location in patent: Page/Page column 18
[8] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 8, p. 821 - 826
[9] Beilstein Journal of Organic Chemistry, 2014, vol. 10, p. 2338 - 2344
[10] Patent: US2015/65522, 2015, A1, . Location in patent: Paragraph 0429; 0430
[11] Patent: , 2016, , . Location in patent: Paragraph 0031; 0035
  • 3
  • [ 4637-24-5 ]
  • [ 105-56-6 ]
  • [ 1260243-04-6 ]
YieldReaction ConditionsOperation in experiment
85%
Stage #1: With acetic acid In N,N-dimethyl-formamide at 25℃; for 1 h;
Stage #2: With hydrazine hydrate In N,N-dimethyl-formamide at 50℃; for 2 h;
To a solution of 25 g of ethyl cyanoacetate (1, 0.221 mol)in 25 cm3 dimethylformamide was added 37.5 cm3 glacialacetic acid (0.077 mol) followed by 47.40 g of N,N-dimethylformamidedimethyl acetal (0.397 mol) dropwise at room temperature and stirred for 1 h. To the resultant pale yellow color solution was added 25 cm3 hydrazine hydrate (0.42 mol) drop wise at 0°C and the reaction medium was stirred for 2 h 50 °C. After completion of the reaction, the reaction medium was diluted with 2.5 dm3 of water and extracted with 2 9 700 cm3 of ethyl acetate. The combined organic layer was dried over sodium sulfate,filtered, and concentrated under reduced pressure to obtain the crude product as pale brown liquid. The crude product was further purified by column chromatography over silicagel, eluted with chloroform/methanol (95:5, v/v) to afford the compound 2 as a white solid (29 g, 85 percent). M.p.: 106.7–108.9 °C; TLC: Rf = 0.22 (CHCl3–MeOH 8:2); IR (ATR):v = 3193 (–NH), 2972 (=C–H), 1662 (ester –C=O), 1551(–C–C), 1496 (ester –C–O), 1337 (C–N) cm-1; 1H NMR(400 MHz, CDCl3): d = 1.23 (3H, t, J = 8 Hz, CH3), 4.15(2H, q, J = 8 Hz, OCH2CH3), 5.98 (2H, bs, ArNH2), 7.45(1H, bs, ArH), 12.04 (1H, bs, pyrazole NH) ppm; 13C NMR(100 MHz, DMSO-d6): d = 14.9, 59.1, 94.0, 139.9, 151.8,164.2 ppm; LC–MS: m/z = 156.7 [M+H]+.
70% at 20℃; for 2.5 h; Inert atmosphere To a solution of ethylcyanoacetate (3) (25 g, 221.0 mmol)in dimethylformamide (25 mL) and acetic acid(37.5 mL), dimethyl formamide dimethyl acetal(47.40 g, 397.8 mmol) was added drop wise at roomtemperature under nitrogen atmosphere over a period of30 min. The reaction medium was stirred at room temperaturefor 2 h. The reaction mixture was cooled to 0 °Cand hydrazine hydrate (80percent, 25 mL) was added drop wiseto it over a period of 45 min and then heated to 50 °C for2 h. Completion of the reaction was monitored by TLC.After completion of the reaction, the reaction mixture wasdiluted with ice cold water (1L) and then extracted to ethylacetate (2 × 250 mL). The combined ethyl acetate layerwas dried over anhydrous sodium sulfate, filtered andevaporated under reduced pressure. The crude materialobtained was purified by column chromatography oversilica gel, eluted with 2–5percent methanol in chloroform to getthe product (4) as off-white solid (24 g, 70percent). MP:106.7–108.9 °C. IR (ATR, cm−1) υ: 1125.41 (C–O),1337.61 (C–N), 1496.40 (C–C), 1615.86 (N–H bend),1662.37 (ester C=O), 2972.92 (C–H), 3193.79(N–H stretch). 1H NMR (DMSO-d6, 400 MHz) δ (ppm):1.23 (3H, t, J = 7.2 Hz, ester–CH3), 4.16 (2H, q, J = 6.9Hz, ester–CH2), 5.99 (2H, bs, pyrazole–NH2), 7.47 (1H,bs, pyrazole–CH), 11.84 (1H, bs, pyrazole–NH). 13CNMR (DMSO-d6, 100 MHz) δ (ppm): 14.92 (ester–CH3),59.10 (ester–CH2), 94.00 (pyrazole–C-3), 139.93(pyrazole–C-4), 151.86 (pyrazole–C-5), 164.27 (carbonylfrom ester). LC-MS (ESI, m/z): 153.7 (M-H) and 156.7(M+H).
Reference: [1] Monatshefte fur Chemie, 2016, vol. 147, # 12, p. 2221 - 2234
[2] Medicinal Chemistry Research, 2017, vol. 26, # 4, p. 714 - 744
[3] Journal of Heterocyclic Chemistry, 2017, vol. 54, # 3, p. 1904 - 1924
[4] Journal of Heterocyclic Chemistry, 2018, vol. 55, # 1, p. 214 - 225
  • 4
  • [ 72459-84-8 ]
  • [ 1260243-04-6 ]
YieldReaction ConditionsOperation in experiment
66.78% With hydrazine hydrate In ethanol at 80℃; for 4 h; Ethoxymethylidenecarbonitrile ethyl acetate (68 g, 0.4 mol) was added to a vessel containing 200 mL of absolute ethanol;After dropping 100 mL of hydrazine hydrate into the vessel, the vessel was placed in an electrothermal apparatus,The temperature gradually increased to 80 ° C in the range of 30 minutes,To obtain a mixture A; the mixture A was subjected to heating and reflux, and after refluxing for 4 hours,The solid was cooled to dryness to precipitate a light yellow solid which was filtered, washed and dried to give the intermediate 5-amino-lH-pyrazole-4-carboxylic acid ethyl ester; The washing process uses cold ethanol. The mass of the product 5-amino-1H-pyrazole-4-carboxylic acid ethyl ester was 41.68 g. Yield: 66.78percent
Reference: [1] Patent: CN105884783, 2016, A, . Location in patent: Paragraph 0048; 0049; 0050; 0051; 0052; 0053
  • 5
  • [ 42466-68-2 ]
  • [ 1260243-04-6 ]
YieldReaction ConditionsOperation in experiment
70% With hydrazine hydrate In ethanol at 25 - 30℃; for 2 h; Reflux; Inert atmosphere To a stirred solution of compound 6 (10 g, 0.06 mol) in ethanol (10 mL), hydrazine hydrate (9.4 mL, 0.19 mol) was added slowly at 25–30 °C. The reaction mass was heated to reflux and stirred for 2 h. After reaction completion, the reaction mass was concentrated and extracted with ethyl acetate (80 mL) and washed with water (2 × 40 mL) and brine solution (30 mL), and then dried over anhydrous sodium sulfate and concentrated completely to obtain the desired product compound 7 as: Yellow solid, yield 70percent; 1H NMR (400 MHz, CDCl3): δ 1.32–1.41 (m, 3H), 4.25–4.37 (m, 2H), 5.79 (bs, 3H, NH2), 7.74 (s, 1H); LCMS (ESI) m/zfor C6H9N3O2: 156.10 Da ([M + H]+). Anal. calcd for C6H9N3O2: C, 46.45;H, 5.85; N, 27.08; found: C, 46.44; H, 5.87; N, 27.10percent.
Reference: [1] Journal of Chemical Research, 2017, vol. 41, # 4, p. 221 - 224
  • 6
  • [ 94-05-3 ]
  • [ 1260243-04-6 ]
YieldReaction ConditionsOperation in experiment
52% With hydrazine hydrate In ethanol for 3 h; Reflux A solution of (Z)-ethyl 2-cyano-3-ethoxyacrylate (10.5 g, 48.5 mmol) and hydrazine hydrate (5.5 g, 73 mmol) in ethanol (100 mL) was heated to reflux and stirred for 3 h. The resulting mixture was concentrated in vacuo, the residue was diluted with ethyl acetate (100 mL) and washed with water (3 x 20 mL) followed by brine (50 mL). The organic layer was dried over anhydrous Na2S04, filtered and concentrated in vacuo. The residue was purified by a silica gel column chromatography (EA/PE (v/v) = 1/2) to afford the title compound as a yellow solid (7.2 g, 52percent).LC-MS (ESI, pos. ion) m/z: 156.2 [M+H]+; H NMR (400 MHz, CDCls): δ (ppm) 7.73 (s, 1H), 6.58 (br, 3H), 4.28 (q, J= 7.1 Hz, 2H), 1.33 (t, J= 7.1 Hz, 3H).
52% With hydrazine hydrate In ethanol for 3 h; Reflux (Z) -2-cyano-3-ethoxyacrylate (10.5 g, 48.5 mmol)And hydrazine hydrate (5.5 g, 73 mmol)In ethanol (100 mL)Warmed to reflux,Stir for 3 hours.The resulting reaction mixture was concentrated under reduced pressure. The resulting residue was diluted with ethyl acetate (100 mL), washed sequentially with water (3 × 20 mL), brine (50 mL), dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. Purification by silica gel column chromatography (EA / PE (v / v) = 1/2) gave the title compound as a yellow solid (7.2 g, 52percent).
14 g With hydrazine hydrate In ethanol at 95℃; To a solution of ethyl (2Z)-2-cyano-3-ethoxyprop-2-enoate (36 g, crude) in ethanol (200 ml) was added N2H4.H2O (11.72 g, 0.23 mol) with stirring overnight at 95°C. The reaction mixture was concentrated in vacuo to give a residue, which was purified by a silica gel chromatography with 2 percent dichloromethane in methanol to afford ethyl 5-amino-lH-pyrazole-4-carboxylate as a light yellow solid (14 g, 40 percent 2 steps).LC/MS (ES, m/z): [M+H]+ 156.0 *H NMR (300 MHz, CDC13) δ 7.77 (s, 1H), 5.65 (s, 3H), 4.27 - 4.34 (m, 2H), 1.34 - 1.39 (t, 7 = 7.2 Hz, 3H)
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 15, p. 4303 - 4307
[2] Patent: WO2015/73267, 2015, A1, . Location in patent: Paragraph 383
[3] Patent: CN104650092, 2017, B, . Location in patent: Paragraph 0745-0746; 0750-0751
[4] Patent: WO2014/66795, 2014, A1, . Location in patent: Paragraph 0174 - 0175
  • 7
  • [ 105-56-6 ]
  • [ 1260243-04-6 ]
Reference: [1] Patent: US2012/277224, 2012, A1,
[2] Patent: WO2014/66795, 2014, A1,
[3] Patent: WO2015/73267, 2015, A1,
[4] Journal of Chemical Research, 2017, vol. 41, # 4, p. 221 - 224
[5] Patent: CN104650092, 2017, B,
  • 8
  • [ 1260243-04-6 ]
  • [ 41680-34-6 ]
Reference: [1] MedChemComm, 2015, vol. 6, # 5, p. 926 - 934
  • 9
  • [ 1260243-04-6 ]
  • [ 1224944-77-7 ]
Reference: [1] Patent: US2016/168156, 2016, A1,
[2] Patent: WO2017/4342, 2017, A1,
[3] Patent: WO2017/15367, 2017, A1,
[4] Patent: WO2013/59587, 2013, A1,
[5] Patent: EP2768509, 2017, B1,
[6] Patent: WO2017/7759, 2017, A1,
[7] Chemical and Pharmaceutical Bulletin, 2017, vol. 65, # 11, p. 1058 - 1077
  • 10
  • [ 1001-26-9 ]
  • [ 1260243-04-6 ]
  • [ 926663-00-5 ]
YieldReaction ConditionsOperation in experiment
91% With caesium carbonate In N,N-dimethyl-formamide at 100℃; for 2 h; To a mixture of ethyl 3-amino-1H-pyrazole-4-carboxylate (29) (30.0 g, 193 mmol) and ethyl 3-ethoxy-2-propenoate (cis- and trans-mixture, 41.9 mL, 290 mmol) in DMF(387 mL) was added cesium carbonate (113 g, 348 mmol). Themixture was stirred at 100°C for 2 h, diluted with water andthen acidified to pH ca. 5 with AcOH. The resulting solid wasfiltered by filtration, washed with water and dried to afford 30(36.4 g, 176 mmol, 91percent) as a beige solid. 1H-NMR (300 MHz,DMSO-d6) δ: 1.28 (3H, t, J=7.1 Hz), 4.28 (2H, q, J=7.1 Hz),6.15 (1H, d, J=7.9 Hz), 8.13 (1H, s), 8.57 (1H, d, J=7.9 Hz),11.73 (1H, br s).
Reference: [1] Chemical and Pharmaceutical Bulletin, 2017, vol. 65, # 11, p. 1058 - 1077
  • 11
  • [ 1260243-04-6 ]
  • [ 1436686-17-7 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 11, p. 3149 - 3153
[2] Patent: WO2015/73267, 2015, A1,
[3] Patent: CN104650092, 2017, B,
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 1260243-04-6 ]

Esters

Chemical Structure| 37622-90-5

[ 37622-90-5 ]

Ethyl 4-pyrazolecarboxylate

Similarity: 0.91

Chemical Structure| 51105-90-9

[ 51105-90-9 ]

Methyl 1H-pyrazole-4-carboxylate

Similarity: 0.88

Chemical Structure| 31037-02-2

[ 31037-02-2 ]

Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

Similarity: 0.88

Chemical Structure| 110860-60-1

[ 110860-60-1 ]

Methyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

Similarity: 0.86

Chemical Structure| 85290-80-8

[ 85290-80-8 ]

Ethyl 1-methyl-1H-pyrazole-4-carboxylate

Similarity: 0.84

Amines

Chemical Structure| 31037-02-2

[ 31037-02-2 ]

Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

Similarity: 0.88

Chemical Structure| 110860-60-1

[ 110860-60-1 ]

Methyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

Similarity: 0.86

Chemical Structure| 1613191-73-3

[ 1613191-73-3 ]

Allyl 3,5-diamino-1H-pyrazole-4-carboxylate

Similarity: 0.81

Chemical Structure| 6825-71-4

[ 6825-71-4 ]

Ethyl 3,5-diamino-1H-pyrazole-4-carboxylate

Similarity: 0.81

Chemical Structure| 4058-91-7

[ 4058-91-7 ]

5-Amino-1-methyl-1H-pyrazole-4-carboxylic acid

Similarity: 0.80

Related Parent Nucleus of
[ 1260243-04-6 ]

Pyrazoles

Chemical Structure| 37622-90-5

[ 37622-90-5 ]

Ethyl 4-pyrazolecarboxylate

Similarity: 0.91

Chemical Structure| 51105-90-9

[ 51105-90-9 ]

Methyl 1H-pyrazole-4-carboxylate

Similarity: 0.88

Chemical Structure| 31037-02-2

[ 31037-02-2 ]

Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

Similarity: 0.88

Chemical Structure| 110860-60-1

[ 110860-60-1 ]

Methyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

Similarity: 0.86

Chemical Structure| 85290-80-8

[ 85290-80-8 ]

Ethyl 1-methyl-1H-pyrazole-4-carboxylate

Similarity: 0.84