4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-N-(2-methoxyethyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5500 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-N-(2-methoxyethyl)piperazine-2-carboxamide |
| Molecular Weight: | 478.47 |
| Molecular Formula: | C22 H25 F3 N6 O3 |
| Smiles: | Cc1cc(C(N2CCN(CC2C(NCCOC)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0813 |
| logD: | 1.0813 |
| logSw: | -2.2986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.022 |
| InChI Key: | YFTWVIMVYMUHTQ-IBGZPJMESA-N |