3-(difluoromethyl)-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
3-(difluoromethyl)-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxylic acid
3-(difluoromethyl)-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1261 |
| Compound Name: | 3-(difluoromethyl)-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 266.24 |
| Molecular Formula: | C13 H12 F2 N2 O2 |
| Smiles: | Cc1ccc(Cn2cc(C(O)=O)c(C(F)F)n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6244 |
| logD: | -0.5525 |
| logSw: | -2.7087 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.699 |
| InChI Key: | MXTQPCZDBSDQJO-UHFFFAOYSA-N |