[4-(adamantan-1-yl)piperazin-1-yl][5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
Chemical Structure Depiction of
[4-(adamantan-1-yl)piperazin-1-yl][5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
[4-(adamantan-1-yl)piperazin-1-yl][5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
Compound characteristics
| Compound ID: | 8015-8340 |
| Compound Name: | [4-(adamantan-1-yl)piperazin-1-yl][5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone |
| Molecular Weight: | 557.62 |
| Molecular Formula: | C29 H34 F3 N5 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1CCN(CC1)C(c1cc2NC(CC(C(F)(F)F)n2n1)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.5847 |
| logD: | 5.544 |
| logSw: | -5.8948 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.482 |
| InChI Key: | NSYPWJCCSUXNEZ-UHFFFAOYSA-N |