4-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
4-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | Y507-0363 |
| Compound Name: | 4-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid |
| Molecular Weight: | 270.21 |
| Molecular Formula: | C12 H9 F3 N2 O2 |
| Smiles: | C(c1ccc(cc1)C(O)=O)n1ccc(C(F)(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.5228 |
| logD: | -0.4487 |
| logSw: | -2.5071 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.035 |
| InChI Key: | DTZBNJPEEBPDSB-UHFFFAOYSA-N |