4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-methyl-1H-pyrazole-5-carbonyl)piperazine-2-carboxamide
Chemical Structure Depiction of
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-methyl-1H-pyrazole-5-carbonyl)piperazine-2-carboxamide
4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-methyl-1H-pyrazole-5-carbonyl)piperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-5129 |
| Compound Name: | 4-[4-cyano-3-(trifluoromethyl)phenyl]-1-(1-methyl-1H-pyrazole-5-carbonyl)piperazine-2-carboxamide |
| Molecular Weight: | 406.37 |
| Molecular Formula: | C18 H17 F3 N6 O2 |
| Smiles: | Cn1c(ccn1)C(N1CCN(CC1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4389 |
| logD: | 0.4389 |
| logSw: | -1.9811 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.54 |
| InChI Key: | XJPMXDSXOZKCMZ-HNNXBMFYSA-N |