HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Pyrazolin-5-one, 4-butyl-1,2-diphenyl-3-methoxy-
4-Butyl-1,2-diphenyl-3-methoxy-3-pyrazolin-5-one · 3H-Pyrazol-3-one, 4-butyl-1,2-dihydro-5-methoxy-1,2-diphenyl-
Identifiers & Physical Properties
| CAS No. | 27258-01-1 |
|---|---|
| Molecular formula | C20H22N2O2 |
| Average molar mass | 322.4 g/mol |
| Monoisotopic mass | 322.16812795 g/mol |
| SMILES | CCCCc1c(OC)n(-c2ccccc2)n(-c2ccccc2)c1=O |
| InChIKey | HZWCYMHYZRAXMH-UHFFFAOYSA-N |
| PubChem CID | 213909 |
| ChEMBL | CHEMBL4465035 |
| DTXSID | DTXSID60181708 |
Chemical & Physical Properties
| XLogP | 5.2 |
|---|---|
| Topological polar surface area | 32.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 6 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 462 |