1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-methylpiperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0314 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 462.47 |
| Molecular Formula: | C22 H25 F3 N6 O2 |
| Smiles: | Cc1c(CCC(N2CCN(C(C2)C(NC)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)c(C)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.582 |
| logD: | 1.5816 |
| logSw: | -2.3938 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.054 |
| InChI Key: | BHTHSWCHQDXORD-IBGZPJMESA-N |