4-[4-(1H-pyrazole-3-carbonyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(1H-pyrazole-3-carbonyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(1H-pyrazole-3-carbonyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0450 |
| Compound Name: | 4-[4-(1H-pyrazole-3-carbonyl)-3-{[(pyridin-3-yl)oxy]methyl}piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 456.43 |
| Molecular Formula: | C22 H19 F3 N6 O2 |
| Smiles: | C1CN(C(CN1c1ccc(C#N)c(c1)C(F)(F)F)COc1cccnc1)C(c1cc[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3427 |
| logD: | 2.3352 |
| logSw: | -2.715 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.13 |
| InChI Key: | DQYZXIDLAUZQQG-QGZVFWFLSA-N |