4-[4-(1-methyl-1H-pyrazole-5-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[4-(1-methyl-1H-pyrazole-5-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[4-(1-methyl-1H-pyrazole-5-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0397 |
| Compound Name: | 4-[4-(1-methyl-1H-pyrazole-5-carbonyl)-3-(phenoxymethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 469.47 |
| Molecular Formula: | C24 H22 F3 N5 O2 |
| Smiles: | Cn1c(ccn1)C(N1CCN(CC1COc1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2869 |
| logD: | 3.2869 |
| logSw: | -3.6568 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.661 |
| InChI Key: | IOGHPXDWVDUJPH-LJQANCHMSA-N |