Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 1125-29-7 | MDL No. : | MFCD00159648 |
Formula : | C7H10N2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | NOIOGQJFLIPRBI-UHFFFAOYSA-N |
M.W : | 154.17 | Pubchem ID : | 736514 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.43 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 40.38 |
TPSA : | 55.12 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.84 cm/s |
Log Po/w (iLOGP) : | 1.13 |
Log Po/w (XLOGP3) : | 0.56 |
Log Po/w (WLOGP) : | 0.74 |
Log Po/w (MLOGP) : | 0.33 |
Log Po/w (SILICOS-IT) : | 0.59 |
Consensus Log Po/w : | 0.67 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -1.42 |
Solubility : | 5.87 mg/ml ; 0.0381 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.29 |
Solubility : | 7.91 mg/ml ; 0.0513 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -0.93 |
Solubility : | 18.1 mg/ml ; 0.117 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.46 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | Packing Group: | N/A |
GHS Pictogram: |
* 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.
[ 113808-86-9 ]
3,5-Dimethylpyrazole-4-carboxylic Acid
Similarity: 0.90
[ 31728-75-3 ]
1,5-Dimethyl-1H-pyrazole-4-carboxylic acid
Similarity: 0.88
[ 80537-07-1 ]
2-Phenylpyrazolo[1,5-a]pyridine-3-carboxylic acid
Similarity: 0.85
[ 796729-10-7 ]
5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxylic acid
Similarity: 0.83
[ 78703-53-4 ]
1,3-Dimethyl-1H-pyrazole-4-carboxylic acid
Similarity: 0.82
[ 113808-86-9 ]
3,5-Dimethylpyrazole-4-carboxylic Acid
Similarity: 0.90
[ 31728-75-3 ]
1,5-Dimethyl-1H-pyrazole-4-carboxylic acid
Similarity: 0.88
[ 2644-93-1 ]
1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde
Similarity: 0.85
[ 35691-93-1 ]
Ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
Similarity: 0.83
[ 78703-53-4 ]
1,3-Dimethyl-1H-pyrazole-4-carboxylic acid
Similarity: 0.82