4-{3-[(benzyloxy)methyl]-4-(1H-pyrazole-3-carbonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{3-[(benzyloxy)methyl]-4-(1H-pyrazole-3-carbonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{3-[(benzyloxy)methyl]-4-(1H-pyrazole-3-carbonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0639 |
| Compound Name: | 4-{3-[(benzyloxy)methyl]-4-(1H-pyrazole-3-carbonyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 469.47 |
| Molecular Formula: | C24 H22 F3 N5 O2 |
| Smiles: | C1CN(C(CN1c1ccc(C#N)c(c1)C(F)(F)F)COCc1ccccc1)C(c1cc[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.415 |
| logD: | 3.415 |
| logSw: | -3.8457 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.547 |
| InChI Key: | COBCTRJJIPSGAQ-HXUWFJFHSA-N |