4-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0399 |
| Compound Name: | 4-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 483.49 |
| Molecular Formula: | C25 H24 F3 N5 O2 |
| Smiles: | Cc1cc(C(N2CCN(CC2COc2ccccc2)c2ccc(C#N)c(c2)C(F)(F)F)=O)nn1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5542 |
| logD: | 3.5542 |
| logSw: | -3.7679 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.497 |
| InChI Key: | DLUCEYCFJOBYGK-HXUWFJFHSA-N |