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

C12H12BrN3O — CID 103853900

IUPAC2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccnn2C)c1Br
InChIInChI=1S/C12H12BrN3O/c1-8-4-3-5-9(11(8)13)12(17)15-10-6-7-14-16(10)2/h3-7H,1-2H3,(H,15,17)
InChIKeyYTSOPRTZOWSYKB-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.74
Rot. Bonds2

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

2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide (PubChem CID 103853900) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
PubChem CID103853900
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccnn2C)c1Br
InChIInChI=1S/C12H12BrN3O/c1-8-4-3-5-9(11(8)13)12(17)15-10-6-7-14-16(10)2/h3-7H,1-2H3,(H,15,17)
InChIKeyYTSOPRTZOWSYKB-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

Analyze 2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675219
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
3-bromo-2-iodo-5-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 170307274
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 113339739
1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813668
2-chloro-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
CID 112576364
2-amino-N-(2-methylpyrazol-3-yl)-3-nitrobenzamide
CID 112696742
3-(methylamino)-N-(2-methylpyrazol-3-yl)-2-nitrobenzamide
CID 115548768
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
3-hydroxy-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 81443340
2-(ethylamino)-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 55209117
N-(2-methylpyrazol-3-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 136529745

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide (CID 103853900) is 2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide is Cc1cccc(C(=O)Nc2ccnn2C)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is YTSOPRTZOWSYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-8-4-3-5-9(11(8)13)12(17)15-10-6-7-14-16(10)2/h3-7H,1-2H3,(H,15,17).
What are the key properties of 2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide?
2-bromo-3-methyl-N-(2-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 2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 103853900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).