4-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoic acid
Chemical Structure Depiction of
4-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoic acid
4-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoic acid
Compound characteristics
| Compound ID: | Y503-1699 |
| Compound Name: | 4-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoic acid |
| Molecular Weight: | 335.79 |
| Molecular Formula: | C16 H18 Cl N3 O3 |
| Smiles: | CCC(C(Nc1ccc(cc1)C(O)=O)=O)n1c(C)c(c(C)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.015 |
| logD: | 0.6197 |
| logSw: | -3.5558 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.964 |
| InChI Key: | UTFZCLYUSDOJRY-ZDUSSCGKSA-N |