1-[(3-methylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-[(3-methylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
1-[(3-methylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1246 |
| Compound Name: | 1-[(3-methylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 284.24 |
| Molecular Formula: | C13 H11 F3 N2 O2 |
| Smiles: | Cc1cccc(Cn2cc(C(O)=O)c(C(F)(F)F)n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.1019 |
| logD: | -0.2502 |
| logSw: | -2.8908 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.699 |
| InChI Key: | HTAOWNCQTVAHEX-UHFFFAOYSA-N |