rel-(5R,7S)-5-(4-bromophenyl)-N-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-5-(4-bromophenyl)-N-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-5-(4-bromophenyl)-N-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 3209-0973 |
| Compound Name: | rel-(5R,7S)-5-(4-bromophenyl)-N-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 515.72 |
| Molecular Formula: | C20 H15 Br Cl F3 N4 O2 |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(cn2)C(Nc2cc(ccc2O)[Cl])=O)N[C@H]1c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.4557 |
| logD: | 5.4189 |
| logSw: | -5.8285 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.455 |
| InChI Key: | BLDCYMSJAVOYEF-YOEHRIQHSA-N |