5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide

C11H11BrN4O — CID 47423228

IUPAC5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
SMILESCCc1cc(NC(=O)c2cncc(Br)c2)n[nH]1
InChIInChI=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)
InChIKeyYTSUHLKNXYLURP-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.38
Rot. Bonds3

About 5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide

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.

Molecular Properties

Compound Name5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
PubChem CID47423228
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
SMILESCCc1cc(NC(=O)c2cncc(Br)c2)n[nH]1
InChIInChI=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)
InChIKeyYTSUHLKNXYLURP-UHFFFAOYSA-N
XLogP2.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide (CID 47423228) is 5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide is CCc1cc(NC(=O)c2cncc(Br)c2)n[nH]1.
What is the InChIKey of 5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The InChIKey is YTSUHLKNXYLURP-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 47423228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).