rel-(5R,7S)-5-(4-bromophenyl)-N-(3-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-(3-hydroxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-5-(4-bromophenyl)-N-(3-hydroxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 3209-0976 |
| Compound Name: | rel-(5R,7S)-5-(4-bromophenyl)-N-(3-hydroxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 481.27 |
| Molecular Formula: | C20 H16 Br F3 N4 O2 |
| Smiles: | C1[C@@H](C(F)(F)F)n2c(c(cn2)C(Nc2cccc(c2)O)=O)N[C@H]1c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.5842 |
| logD: | 4.5664 |
| logSw: | -4.0666 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.222 |
| InChI Key: | BRARPZNEZDBQCR-IRXDYDNUSA-N |