5-[(3-chloro-2-methylphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
5-[(3-chloro-2-methylphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
5-[(3-chloro-2-methylphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6112 |
| Compound Name: | 5-[(3-chloro-2-methylphenyl)carbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 293.71 |
| Molecular Formula: | C13 H12 Cl N3 O3 |
| Smiles: | Cc1c(cccc1[Cl])NC(c1c(cnn1C)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5019 |
| logD: | -1.6869 |
| logSw: | -3.1954 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.556 |
| InChI Key: | ZCQHQUIPWIWWIV-UHFFFAOYSA-N |