[rel-(5R,7S)-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[rel-(5R,7S)-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone
[rel-(5R,7S)-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | 3209-0987 |
| Compound Name: | [rel-(5R,7S)-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 564.4 |
| Molecular Formula: | C25 H25 Br F3 N5 O2 |
| Smiles: | COc1ccccc1N1CCN(CC1)C(c1cnn2c1N[C@H](C[C@H]2C(F)(F)F)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.0593 |
| logD: | 5.0593 |
| logSw: | -4.5452 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.752 |
| InChI Key: | XXXIGRQWAXPPSH-UGKGYDQZSA-N |