4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrazole-3-carbonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrazole-3-carbonyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrazole-3-carbonyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5501 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrazole-3-carbonyl)piperazine-2-carboxamide |
| Molecular Weight: | 464.45 |
| Molecular Formula: | C21 H23 F3 N6 O3 |
| Smiles: | Cn1ccc(C(N2CCN(CC2C(NCCOC)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9337 |
| logD: | 0.9337 |
| logSw: | -2.1946 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.392 |
| InChI Key: | AWEJKVCALPLRHV-SFHVURJKSA-N |