2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

C11H11BrN4O — CID 62129939

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1nn(-c2ncccc2C(N)=O)c(C)c1Br
InChIInChI=1S/C11H11BrN4O/c1-6-9(12)7(2)16(15-6)11-8(10(13)17)4-3-5-14-11/h3-5H,1-2H3,(H2,13,17)
InChIKeyHSOQGLWXPMWJHH-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.75
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 62129939) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID62129939
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1nn(-c2ncccc2C(N)=O)c(C)c1Br
InChIInChI=1S/C11H11BrN4O/c1-6-9(12)7(2)16(15-6)11-8(10(13)17)4-3-5-14-11/h3-5H,1-2H3,(H2,13,17)
InChIKeyHSOQGLWXPMWJHH-UHFFFAOYSA-N
XLogP1.75
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carbothioamide
CID 62130588
2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridin-3-amine
CID 62129713
2-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 63811010
5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 114895144
2-(2-methylimidazol-1-yl)pyridine-3-carboxamide
CID 55239978
2-[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 133360498
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 61238154
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-fluorobenzamide
CID 79522501
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
CID 61239198
3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridazine-4-carboximidamide
CID 80513474
3-methyl-2-pyrazolo[5,4-b]pyridin-1-ylpyridine-4-carboxamide
CID 126509405
2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
CID 153410852

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (CID 62129939) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is Cc1nn(-c2ncccc2C(N)=O)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is HSOQGLWXPMWJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-6-9(12)7(2)16(15-6)11-8(10(13)17)4-3-5-14-11/h3-5H,1-2H3,(H2,13,17).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62129939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).