4-[4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-5125 |
| Compound Name: | 4-[4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2-(hydroxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 407.39 |
| Molecular Formula: | C19 H20 F3 N5 O2 |
| Smiles: | [H]OCC1CN(CCN1c1ccc(C#N)c(c1)C(F)(F)F)C(c1cc(C)nn1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.181 |
| logD: | 1.181 |
| logSw: | -2.2712 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.22 |
| InChI Key: | ZWZPGPSRTPNOTG-OAHLLOKOSA-N |