4-{3-(methoxymethyl)-4-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{3-(methoxymethyl)-4-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{3-(methoxymethyl)-4-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0251 |
| Compound Name: | 4-{3-(methoxymethyl)-4-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 435.45 |
| Molecular Formula: | C21 H24 F3 N5 O2 |
| Smiles: | Cc1cnn(CCC(N2CCN(CC2COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0635 |
| logD: | 2.0634 |
| logSw: | -2.6553 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.435 |
| InChI Key: | OBWOPHZOGZXHOU-GOSISDBHSA-N |