4-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0237 |
| Compound Name: | 4-[4-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-3-(methoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 435.45 |
| Molecular Formula: | C21 H24 F3 N5 O2 |
| Smiles: | CCn1c(C)c(cn1)C(N1CCN(CC1COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3832 |
| logD: | 2.3832 |
| logSw: | -2.7188 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.132 |
| InChI Key: | FZSFBGPIKAPAQN-QGZVFWFLSA-N |