3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide

C12H11BrClN3O — CID 103826786

IUPAC3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(Cl)cc(Br)c2)n(C)n1
InChIInChI=1S/C12H11BrClN3O/c1-7-3-11(17(2)16-7)15-12(18)8-4-9(13)6-10(14)5-8/h3-6H,1-2H3,(H,15,18)
InChIKeySIMNOSIUCYAEHJ-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.40
Rot. Bonds2

About 3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide

3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 103826786) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
PubChem CID103826786
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cc(Cl)cc(Br)c2)n(C)n1
InChIInChI=1S/C12H11BrClN3O/c1-7-3-11(17(2)16-7)15-12(18)8-4-9(13)6-10(14)5-8/h3-6H,1-2H3,(H,15,18)
InChIKeySIMNOSIUCYAEHJ-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114020153
4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide
CID 16784587
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
2-chloro-N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 62167493
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
5-bromo-N-(2,5-dimethylpyrazol-3-yl)pyrazine-2-carboxamide
CID 112524897
3-N,5-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097376
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 113286216
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide (CID 103826786) is 3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2cc(Cl)cc(Br)c2)n(C)n1.
What is the InChIKey of 3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is SIMNOSIUCYAEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-7-3-11(17(2)16-7)15-12(18)8-4-9(13)6-10(14)5-8/h3-6H,1-2H3,(H,15,18).
What are the key properties of 3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide?
3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide has a molecular weight of 328.60 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 103826786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).