4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-ethyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-ethyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-ethyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5667 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-ethyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-2-carboxamide |
| Molecular Weight: | 448.45 |
| Molecular Formula: | C21 H23 F3 N6 O2 |
| Smiles: | CCn1ccc(C(N2CCN(CC2C(N(C)C)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0843 |
| logD: | 1.0843 |
| logSw: | -2.3187 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 67.216 |
| InChI Key: | ITTVIOYDCZJLPN-SFHVURJKSA-N |