1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-(1H-pyrazole-3-carbonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-(1H-pyrazole-3-carbonyl)piperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-(1H-pyrazole-3-carbonyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0210 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-(1H-pyrazole-3-carbonyl)piperazine-2-carboxamide |
| Molecular Weight: | 406.37 |
| Molecular Formula: | C18 H17 F3 N6 O2 |
| Smiles: | CNC(C1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(c1cc[nH]n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8573 |
| logD: | 0.8573 |
| logSw: | -2.3936 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.268 |
| InChI Key: | KSYAUBUIXNKCNU-HNNXBMFYSA-N |