2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide

C11H9BrFN3O — CID 112691255

IUPAC2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cn[nH]c1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H9BrFN3O/c1-6-5-14-16-10(6)15-11(17)8-4-7(13)2-3-9(8)12/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyIKHPHEALVGZPPZ-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.87
Rot. Bonds2

About 2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide

2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide (PubChem CID 112691255) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
PubChem CID112691255
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCc1cn[nH]c1NC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H9BrFN3O/c1-6-5-14-16-10(6)15-11(17)8-4-7(13)2-3-9(8)12/h2-5H,1H3,(H2,14,15,16,17)
InChIKeyIKHPHEALVGZPPZ-UHFFFAOYSA-N
XLogP2.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 106547271
N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103754876
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431
3-bromo-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 103990810
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354
2-bromo-N-(2,3-dimethylphenyl)-5-fluorobenzamide
CID 24695663
2-bromo-N-(5-fluoro-2-methylphenyl)-5-methoxybenzamide
CID 2446537
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 115694727
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
2-(2,4-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113253808
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-fluorobenzamide
CID 65488531

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide (CID 112691255) is 2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide is Cc1cn[nH]c1NC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is IKHPHEALVGZPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-6-5-14-16-10(6)15-11(17)8-4-7(13)2-3-9(8)12/h2-5H,1H3,(H2,14,15,16,17).
What are the key properties of 2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 298.12 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 112691255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).