C11H11BrN4O — CID 47423228
5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 47423228) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide.
| Compound Name | 5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 47423228 |
| Molecular Formula | C11H11BrN4O |
| Molecular Weight | 295.14 g/mol |
| Exact Mass | 294.01 |
| IUPAC Name | 5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide |
| SMILES | CCc1cc(NC(=O)c2cncc(Br)c2)n[nH]1 |
| InChI | InChI=1S/C11H11BrN4O/c1-2-9-4-10(16-15-9)14-11(17)7-3-8(12)6-13-5-7/h3-6H,2H2,1H3,(H2,14,15,16,17) |
| InChIKey | YTSUHLKNXYLURP-UHFFFAOYSA-N |
| XLogP | 2.38 |
| TPSA | 70.67 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 295.14 |
| LogP ≤ 5 | 2.38 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |