methyl 1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
methyl 1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y507-3895 |
| Compound Name: | methyl 1-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 298.26 |
| Molecular Formula: | C14 H13 F3 N2 O2 |
| Smiles: | Cc1ccccc1Cn1c(cc(C(=O)OC)n1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.4283 |
| logD: | 3.4283 |
| logSw: | -3.5495 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 34.371 |
| InChI Key: | ZLVQDWLQNCZFTC-UHFFFAOYSA-N |