2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide

C12H11BrFN3O — CID 115678351

IUPAC2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2Br)n(C)n1
InChIInChI=1S/C12H11BrFN3O/c1-7-6-10(17(2)16-7)15-12(18)11-8(13)4-3-5-9(11)14/h3-6H,1-2H3,(H,15,18)
InChIKeyXRJKVRDEYSUBBB-UHFFFAOYSA-N
MW312.14 g/mol
LogP2.88
Rot. Bonds2

About 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide

2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide (PubChem CID 115678351) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide
PubChem CID115678351
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cccc2Br)n(C)n1
InChIInChI=1S/C12H11BrFN3O/c1-7-6-10(17(2)16-7)15-12(18)11-8(13)4-3-5-9(11)14/h3-6H,1-2H3,(H,15,18)
InChIKeyXRJKVRDEYSUBBB-UHFFFAOYSA-N
XLogP2.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
2-bromo-6-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 115678259
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367
2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 114559758
2-bromo-6-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 115678106
2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
CID 113250689
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114343847
N-(2,5-dimethylpyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 110470794
2-bromo-6-fluoro-N-pyridin-4-ylbenzamide
CID 59618072
2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
CID 107626160
2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
CID 115678082

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide (CID 115678351) is 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide is Cc1cc(NC(=O)c2c(F)cccc2Br)n(C)n1.
What is the InChIKey of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide?
The InChIKey is XRJKVRDEYSUBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-7-6-10(17(2)16-7)15-12(18)11-8(13)4-3-5-9(11)14/h3-6H,1-2H3,(H,15,18).
What are the key properties of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide?
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide has a molecular weight of 312.14 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-6-fluorobenzamide is sourced from PubChem (CID 115678351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).