4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
Chemical Structure Depiction of
4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | Y507-0032 |
| Compound Name: | 4-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid |
| Molecular Weight: | 264.71 |
| Molecular Formula: | C13 H13 Cl N2 O2 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)C(O)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.6222 |
| logD: | -0.3493 |
| logSw: | -3.1888 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.928 |
| InChI Key: | XVELFNFMFLZCEM-UHFFFAOYSA-N |