4-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0240 |
| Compound Name: | 4-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 421.42 |
| Molecular Formula: | C20 H22 F3 N5 O2 |
| Smiles: | CCn1ccc(C(N2CCN(CC2COC)c2ccc(C#N)c(c2)C(F)(F)F)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0127 |
| logD: | 2.0127 |
| logSw: | -2.6503 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.592 |
| InChI Key: | LCSMFOAKUHWQFZ-MRXNPFEDSA-N |