rel-(5R,7S)-N-(4-bromophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-(4-bromophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-N-(4-bromophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 6466-0159 |
| Compound Name: | rel-(5R,7S)-N-(4-bromophenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 495.3 |
| Molecular Formula: | C21 H18 Br F3 N4 O2 |
| Smiles: | COc1cccc(c1)[C@H]1C[C@@H](C(F)(F)F)n2c(c(cn2)C(Nc2ccc(cc2)[Br])=O)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.1337 |
| logD: | 5.1331 |
| logSw: | -4.8908 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.149 |
| InChI Key: | XQCNQWJKGXKCTR-QZTJIDSGSA-N |