HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-bromo-N-(4-fluoro-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide
4-bromo-N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide · 1H-Pyrazole-5-carboxamide, 4-bromo-N-(4-fluoro-2-methylphenyl)-1,3-dimethyl-
Identifiers & Physical Properties
| CAS No. | 515149-23-2 |
|---|---|
| Molecular formula | C13H13BrFN3O |
| Average molar mass | 326.16 g/mol |
| SMILES | Cc1cc(F)ccc1NC(=O)c1c(Br)c(C)nn1C |
| InChIKey | VLMFSVGKRZXJFO-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 46.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 344 |
| Boiling point | 364.0±42.0 °C(Predicted) |
| Density | 1.51±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 11.20±0.70(Predicted) |