4-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0256 |
| Compound Name: | 4-[4-(1,3-dimethyl-1H-pyrazole-4-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 421.42 |
| Molecular Formula: | C20 H22 F3 N5 O2 |
| Smiles: | Cc1c(cn(C)n1)C(N1CCN(CC1COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7322 |
| logD: | 1.7322 |
| logSw: | -2.3358 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 60.369 |
| InChI Key: | ZCNNUBBZIWJJKK-MRXNPFEDSA-N |