1-methyl-3-[(3-methylphenyl)carbamoyl]-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-methyl-3-[(3-methylphenyl)carbamoyl]-1H-pyrazole-4-carboxylic acid
1-methyl-3-[(3-methylphenyl)carbamoyl]-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6077 |
| Compound Name: | 1-methyl-3-[(3-methylphenyl)carbamoyl]-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 259.26 |
| Molecular Formula: | C13 H13 N3 O3 |
| Smiles: | Cc1cccc(c1)NC(c1c(cn(C)n1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6521 |
| logD: | -2.5367 |
| logSw: | -2.1896 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.093 |
| InChI Key: | CSULMHUNUFMBEH-UHFFFAOYSA-N |