rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0146 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(1-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 474.48 |
| Molecular Formula: | C23 H25 F3 N6 O2 |
| Smiles: | Cn1cc(cn1)C(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(N)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1201 |
| logD: | 1.1201 |
| logSw: | -2.5232 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.225 |
| InChI Key: | ZUYLKWPLKCXMPW-MOPGFXCFSA-N |