rel-(3R,4R)-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}pyrrolidine-3-carboxamide
rel-(3R,4R)-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S641-0661 |
| Compound Name: | rel-(3R,4R)-N-methyl-4-(3-methyl-1H-1,2,4-triazol-5-yl)-1-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 399.37 |
| Molecular Formula: | C16 H20 F3 N7 O2 |
| Smiles: | Cc1nc([C@@H]2CN(C[C@H]2C(NC)=O)C(Cn2c(C)cc(C(F)(F)F)n2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.559 |
| logD: | -0.5596 |
| logSw: | -1.6371 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.026 |
| InChI Key: | VYGFAZFAIAXYPX-GHMZBOCLSA-N |