rel-(5R,7S)-N-(4-cyanophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(4-cyanophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-N-(4-cyanophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | K610-0394 |
| Compound Name: | rel-(5R,7S)-N-(4-cyanophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 471.44 |
| Molecular Formula: | C23 H20 F3 N5 O3 |
| Smiles: | COc1ccc(cc1OC)[C@H]1C[C@@H](C(F)(F)F)n2c(c(cn2)C(Nc2ccc(C#N)cc2)=O)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5966 |
| logD: | 3.595 |
| logSw: | -3.7466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.922 |
| InChI Key: | KBLGOEGKIHKVQN-YLJYHZDGSA-N |