4-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-3-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-3-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-3-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0217 |
| Compound Name: | 4-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-3-(methoxymethyl)piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C22 H26 F3 N5 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2CCN(CC2COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7818 |
| logD: | 1.7815 |
| logSw: | -2.4783 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.665 |
| InChI Key: | JOGMDYDCAREUKJ-LJQANCHMSA-N |