5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide

C12H12BrN3O — CID 65307280

IUPAC5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H12BrN3O/c1-8-3-4-9(13)7-10(8)12(17)14-11-5-6-16(2)15-11/h3-7H,1-2H3,(H,14,15,17)
InChIKeyMKFNCSDBQXSMEN-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.74
Rot. Bonds2

About 5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide

5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 65307280) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID65307280
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H12BrN3O/c1-8-3-4-9(13)7-10(8)12(17)14-11-5-6-16(2)15-11/h3-7H,1-2H3,(H,14,15,17)
InChIKeyMKFNCSDBQXSMEN-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 19405127
5-bromo-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 17420094
1,3-dimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-carboxamide
CID 19474955
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 103909989
5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 18152573
2-methyl-N-(1-methylpyrazol-3-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 7638250
5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide
CID 65307383
5-amino-2-methyl-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 54917547
4-bromo-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60808516
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 65307111
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-(1-methylpyrazol-3-yl)benzamide
CID 24627356

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide (CID 65307280) is 5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide is Cc1ccc(Br)cc1C(=O)Nc1ccn(C)n1.
What is the InChIKey of 5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is MKFNCSDBQXSMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-3-4-9(13)7-10(8)12(17)14-11-5-6-16(2)15-11/h3-7H,1-2H3,(H,14,15,17).
What are the key properties of 5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide?
5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 294.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 65307280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).