rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(3-methyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(3-methyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(3-methyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0119 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(3-methyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 474.48 |
| Molecular Formula: | C23 H25 F3 N6 O2 |
| Smiles: | Cc1cc(C(N2C[C@@H](C3CCN(CC3)c3ccc(C#N)c(c3)C(F)(F)F)[C@@H](C2)C(N)=O)=O)[nH]n1 |
| Stereo: | RELATIVE |
| logP: | 1.9409 |
| logD: | 1.9408 |
| logSw: | -2.9513 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.983 |
| InChI Key: | CCFCLCQTHKLTHX-MSOLQXFVSA-N |