1-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazole-4-carboxylic acid
1-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y504-6082 |
| Compound Name: | 1-methyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 313.23 |
| Molecular Formula: | C13 H10 F3 N3 O3 |
| Smiles: | Cn1cc(C(O)=O)c(C(Nc2cccc(c2)C(F)(F)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3354 |
| logD: | -1.8534 |
| logSw: | -2.9459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.093 |
| InChI Key: | LHCJDWQBSRAFKJ-UHFFFAOYSA-N |