rel-(5R,7S)-N-[(adamantan-1-yl)methyl]-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-[(adamantan-1-yl)methyl]-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
rel-(5R,7S)-N-[(adamantan-1-yl)methyl]-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 8015-0220 |
| Compound Name: | rel-(5R,7S)-N-[(adamantan-1-yl)methyl]-3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 499 |
| Molecular Formula: | C23 H26 Cl F3 N4 O S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)CNC(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1cccs1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 6.0068 |
| logD: | 6.0068 |
| logSw: | -6.3331 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.526 |
| InChI Key: | QCCRYBGHQQBKEP-ILDINJLVSA-N |