rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-1400 |
| Compound Name: | rel-(5R,7S)-3-bromo-5-(5-bromofuran-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 644.24 |
| Molecular Formula: | C23 H19 Br2 F3 N6 O3 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1ccc(o1)[Br])[Br])=O |
| Stereo: | RELATIVE |
| logP: | 3.6664 |
| logD: | 3.3437 |
| logSw: | -3.9462 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.459 |
| InChI Key: | DXTOSGWBCHBHBU-UKRRQHHQSA-N |