rel-(5R,7S)-N-(5-chloro-2-hydroxyphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(5-chloro-2-hydroxyphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-N-(5-chloro-2-hydroxyphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | K610-0089 |
| Compound Name: | rel-(5R,7S)-N-(5-chloro-2-hydroxyphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 450.85 |
| Molecular Formula: | C21 H18 Cl F3 N4 O2 |
| Smiles: | Cc1ccc(cc1)[C@@H]1C[C@H](C(F)(F)F)n2c(cc(C(Nc3cc(ccc3O)[Cl])=O)n2)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.2382 |
| logD: | 5.2266 |
| logSw: | -5.6351 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.708 |
| InChI Key: | UPEMLKQSXBWACM-KBXCAEBGSA-N |