HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Amino4-(3-bromobenzoyl)-1-(4-fluorophenyl)pyrazole
Identifiers & Physical Properties
| Molecular formula | C16H11BrFN3O |
|---|---|
| Average molar mass | 360.18 g/mol |
| Monoisotopic mass | 359.00695 g/mol |
| SMILES | Nc1c(C(=O)c2cccc(Br)c2)cnn1-c1ccc(F)cc1 |
| InChIKey | FQOSJTODWKHNRQ-UHFFFAOYSA-N |
| PubChem CID | 11451237 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 60.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 403 |