3-chloro-N-(3-methoxy-5-nitrophenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-(3-methoxy-5-nitrophenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
3-chloro-N-(3-methoxy-5-nitrophenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0436 |
| Compound Name: | 3-chloro-N-(3-methoxy-5-nitrophenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 495.84 |
| Molecular Formula: | C21 H17 Cl F3 N5 O4 |
| Smiles: | COc1cc(cc(c1)[N+]([O-])=O)NC(c1c(c2NC(CC(C(F)(F)F)n2n1)c1ccccc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.315 |
| logD: | 5.2338 |
| logSw: | -6.0565 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.077 |
| InChI Key: | OMVSFQSHWFIUJW-UHFFFAOYSA-N |