1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxylic acid
1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y503-2323 |
| Compound Name: | 1-{[3-(trifluoromethyl)phenoxy]methyl}-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 286.21 |
| Molecular Formula: | C12 H9 F3 N2 O3 |
| Smiles: | C(n1ccc(C(O)=O)n1)Oc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.1971 |
| logD: | -0.9945 |
| logSw: | -2.2837 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.01 |
| InChI Key: | KTFHHDVKSKICRK-UHFFFAOYSA-N |