methyl 1-[(3-methylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 1-[(3-methylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
methyl 1-[(3-methylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | Y507-3922 |
| Compound Name: | methyl 1-[(3-methylphenyl)methyl]-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 298.26 |
| Molecular Formula: | C14 H13 F3 N2 O2 |
| Smiles: | Cc1cccc(Cn2cc(C(=O)OC)c(C(F)(F)F)n2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3113 |
| logD: | 3.3113 |
| logSw: | -3.3865 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.464 |
| InChI Key: | IENAVKVAVJTFIO-UHFFFAOYSA-N |