N-{5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V029-3109 |
| Compound Name: | N-{5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 417.39 |
| Molecular Formula: | C21 H18 F3 N3 O3 |
| Salt: | not_available |
| Smiles: | CCCc1c(c(c2ccc(cc2)C(F)(F)F)n[nH]1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.407 |
| logD: | 4.407 |
| logSw: | -4.2997 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.575 |
| InChI Key: | PEFGXFPKGHWKIX-UHFFFAOYSA-N |