N-(3,5-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(3,5-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(3,5-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y502-4446 |
| Compound Name: | N-(3,5-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 417.39 |
| Molecular Formula: | C21 H18 F3 N3 O3 |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(F)(F)F)n1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1897 |
| logD: | 3.1895 |
| logSw: | -3.3647 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.331 |
| InChI Key: | AXLCGWZKTQGZQY-UHFFFAOYSA-N |