2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide

C11H11BrN4O — CID 113258806

IUPAC2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide
SMILESCCc1cn[nH]c1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C11H11BrN4O/c1-2-7-6-14-16-10(7)15-11(17)8-3-4-13-9(12)5-8/h3-6H,2H2,1H3,(H2,14,15,16,17)
InChIKeyXOLFDOHNMBXVAW-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.38
Rot. Bonds3

About 2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide

2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide (PubChem CID 113258806) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide
PubChem CID113258806
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide
SMILESCCc1cn[nH]c1NC(=O)c1ccnc(Br)c1
InChIInChI=1S/C11H11BrN4O/c1-2-7-6-14-16-10(7)15-11(17)8-3-4-13-9(12)5-8/h3-6H,2H2,1H3,(H2,14,15,16,17)
InChIKeyXOLFDOHNMBXVAW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 112699962
N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 113251945
N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 115692336
3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 113286320
N-(4-ethyl-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 115680812
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068
N-(4-ethyl-1H-pyrazol-5-yl)-3-hydroxypyridine-2-carboxamide
CID 104620340
N-(4-ethyl-1H-pyrazol-5-yl)pyrimidine-5-carboxamide
CID 104629328
2-bromo-N-pentan-3-ylpyridine-4-carboxamide
CID 103751828
N-(4-ethyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104619305
2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)-5-iodobenzamide
CID 113364233
4-[(dimethylamino)methyl]-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 115692357

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide (CID 113258806) is 2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide is CCc1cn[nH]c1NC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide?
The InChIKey is XOLFDOHNMBXVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-2-7-6-14-16-10(7)15-11(17)8-3-4-13-9(12)5-8/h3-6H,2H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide?
2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-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 2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 113258806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).