4-{3-(methoxymethyl)-4-[3-(1H-pyrazol-1-yl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{3-(methoxymethyl)-4-[3-(1H-pyrazol-1-yl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{3-(methoxymethyl)-4-[3-(1H-pyrazol-1-yl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0250 |
| Compound Name: | 4-{3-(methoxymethyl)-4-[3-(1H-pyrazol-1-yl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 421.42 |
| Molecular Formula: | C20 H22 F3 N5 O2 |
| Smiles: | COCC1CN(CCN1C(CCn1cccn1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5951 |
| logD: | 1.5951 |
| logSw: | -2.1923 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.452 |
| InChI Key: | SGVJIPJUTQOGTL-QGZVFWFLSA-N |