rel-(5R,7S)-N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | K610-0386 |
| Compound Name: | rel-(5R,7S)-N-[3-(2-cyanoethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 499.49 |
| Molecular Formula: | C25 H24 F3 N5 O3 |
| Smiles: | COc1ccc(cc1OC)[C@H]1C[C@@H](C(F)(F)F)n2c(cc(C(Nc3cccc(CCC#N)c3)=O)n2)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6807 |
| logD: | 3.6807 |
| logSw: | -4.0576 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.61 |
| InChI Key: | NMCWCLNXBZTWRF-GCJKJVERSA-N |