5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | Y508-7428 |
| Compound Name: | 5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 540.29 |
| Molecular Formula: | C21 H17 Br F3 N5 O4 |
| Smiles: | COc1cc(cc(c1)[N+]([O-])=O)NC(c1cnn2C(CC(c3ccc(cc3)[Br])Nc12)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.4347 |
| logD: | 5.4003 |
| logSw: | -5.3434 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.531 |
| InChI Key: | DFEXJJFILDFUIC-UHFFFAOYSA-N |