5-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
5-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6165 |
| Compound Name: | 5-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C18 H19 N5 O3 |
| Smiles: | Cc1c(CNC(c2c(cnn2C)C(O)=O)=O)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5568 |
| logD: | -2.2189 |
| logSw: | -2.1636 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.994 |
| InChI Key: | IWRUUCJJCNSMME-UHFFFAOYSA-N |