ethyl 5-(4-{4-[rel-(1R,2R)-2-phenylcyclopropane-1-carbonyl]piperazin-1-yl}phenyl)-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(4-{4-[rel-(1R,2R)-2-phenylcyclopropane-1-carbonyl]piperazin-1-yl}phenyl)-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate
ethyl 5-(4-{4-[rel-(1R,2R)-2-phenylcyclopropane-1-carbonyl]piperazin-1-yl}phenyl)-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V003-0181 |
| Compound Name: | ethyl 5-(4-{4-[rel-(1R,2R)-2-phenylcyclopropane-1-carbonyl]piperazin-1-yl}phenyl)-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 521.62 |
| Molecular Formula: | C31 H31 N5 O3 |
| Salt: | not_available |
| Smiles: | CCOC(c1cc(c2ccc(cc2)N2CCN(CC2)C([C@@H]2C[C@H]2c2ccccc2)=O)n(c2ccccn2)n1)=O |
| Stereo: | RELATIVE |
| logP: | 5.3272 |
| logD: | 5.3271 |
| logSw: | -5.3912 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.487 |
| InChI Key: | LCETUHQQVNMZIA-CLJLJLNGSA-N |