4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide

C12H12BrN3O — CID 63818565

IUPAC4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2C)n[nH]1
InChIInChI=1S/C12H12BrN3O/c1-7-5-9(13)3-4-10(7)12(17)14-11-6-8(2)15-16-11/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyGTMUXWDSHBUAHK-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.04
Rot. Bonds2

About 4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide

4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide (PubChem CID 63818565) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
PubChem CID63818565
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2C)n[nH]1
InChIInChI=1S/C12H12BrN3O/c1-7-5-9(13)3-4-10(7)12(17)14-11-6-8(2)15-16-11/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyGTMUXWDSHBUAHK-UHFFFAOYSA-N
XLogP3.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 112689151
4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819398
2-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 60975112
4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
CID 115624460
5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55260016
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide
CID 115603581
4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 113357499
3-amino-4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819252
2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819395
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide (CID 63818565) is 4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(Br)cc2C)n[nH]1.
What is the InChIKey of 4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is GTMUXWDSHBUAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-7-5-9(13)3-4-10(7)12(17)14-11-6-8(2)15-16-11/h3-6H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide?
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 294.15 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 63818565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).