rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(1H-pyrazole-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Compound characteristics
Compound ID: | S954-5056 |
Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(1H-pyrazole-3-carbonyl)piperidin-4-yl]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)c1ccc(C#N)c(c1)C(F)(F)F)C(c1cc[nH]n1)=O |
Stereo: | RELATIVE |
logP: | 1.5653 |
logD: | 1.5653 |
logSw: | -2.5695 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 95.017 |
InChI Key: | XXTZUYOXNYKQAB-DLBZAZTESA-N |