N-(3,5-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3,5-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)-4-nitro-1H-pyrazole-3-carboxamide
N-(3,5-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-4536 |
| Compound Name: | N-(3,5-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-4-yl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 408.34 |
| Molecular Formula: | C17 H15 F3 N6 O3 |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(F)(F)F)n1)NC(c1c(c[nH]n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9333 |
| logD: | 1.8035 |
| logSw: | -2.6887 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.758 |
| InChI Key: | SHKKNLCVNBMKNU-UHFFFAOYSA-N |