4-[(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
4-[(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | Y502-9649 |
| Compound Name: | 4-[(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)amino]benzoic acid |
| Molecular Weight: | 279.68 |
| Molecular Formula: | C12 H10 Cl N3 O3 |
| Smiles: | Cn1c(C(Nc2ccc(cc2)C(O)=O)=O)c(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.9968 |
| logD: | -0.3984 |
| logSw: | -2.926 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.254 |
| InChI Key: | ZWCNCQBFPDKSQE-UHFFFAOYSA-N |