rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-[(1H-pyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-[(1H-pyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-[(1H-pyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0156 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-[(1H-pyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 474.48 |
| Molecular Formula: | C23 H25 F3 N6 O2 |
| Smiles: | C1CN(CCC1[C@@H]1CN(C[C@H]1C(N)=O)C(Cn1cccn1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0909 |
| logD: | 1.0909 |
| logSw: | -2.6246 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.683 |
| InChI Key: | YZWABEUGLTXSCT-MOPGFXCFSA-N |