4-[4-cyano-3-(trifluoromethyl)phenyl]-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-methylpiperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5246 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 462.47 |
| Molecular Formula: | C22 H25 F3 N6 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2CCN(CC2C(NC)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8137 |
| logD: | 0.8134 |
| logSw: | -2.3124 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.124 |
| InChI Key: | AGTAHWLHJCFBRV-IBGZPJMESA-N |