rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0535 |
| Compound Name: | rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 539.3 |
| Molecular Formula: | C19 H13 Br F6 N4 O S |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(c(C(Nc3ccccc3C(F)(F)F)=O)n2)[Br])N[C@H]1c1cccs1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.3834 |
| logD: | 5.3833 |
| logSw: | -5.6594 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.472 |
| InChI Key: | MAJKZEAYIVVVBY-DGCLKSJQSA-N |