rel-(5R,7S)-N-[(adamantan-2-yl)methyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
rel-(5R,7S)-N-[(adamantan-2-yl)methyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
rel-(5R,7S)-N-[(adamantan-2-yl)methyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | 8013-3264 |
| Compound Name: | rel-(5R,7S)-N-[(adamantan-2-yl)methyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 518.58 |
| Molecular Formula: | C27 H33 F3 N4 O3 |
| Smiles: | COc1ccc(cc1OC)[C@H]1C[C@@H](C(F)(F)F)n2c(c(cn2)C(NCC2C3CC4CC(C3)CC2C4)=O)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.1445 |
| logD: | 5.1445 |
| logSw: | -4.897 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.221 |
| InChI Key: | RTCXHRWHUFKUOC-QMUDKROGSA-N |