rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0056 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 460.46 |
| Molecular Formula: | C22 H23 F3 N6 O2 |
| Smiles: | C1CN(CCC1[C@@H]1CN(C[C@H]1C(N)=O)C(c1cc[nH]n1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5801 |
| logD: | 1.5801 |
| logSw: | -2.5695 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.017 |
| InChI Key: | LBXQQIWZGIVDHO-SJORKVTESA-N |