4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide

C12H11BrN4O3 — CID 19262728

IUPAC4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C)cc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11BrN4O3/c1-7-3-4-9(10(5-7)17(19)20)14-12(18)11-8(13)6-16(2)15-11/h3-6H,1-2H3,(H,14,18)
InChIKeyYASDDESOMIPPJP-UHFFFAOYSA-N
MW339.15 g/mol
LogP2.65
Rot. Bonds3

About 4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide

4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 19262728) has the molecular formula C12H11BrN4O3 and a molecular weight of 339.15 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
PubChem CID19262728
Molecular FormulaC12H11BrN4O3
Molecular Weight339.15 g/mol
Exact Mass338.00
IUPAC Name4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C)cc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11BrN4O3/c1-7-3-4-9(10(5-7)17(19)20)14-12(18)11-8(13)6-16(2)15-11/h3-6H,1-2H3,(H,14,18)
InChIKeyYASDDESOMIPPJP-UHFFFAOYSA-N
XLogP2.65
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide 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

4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
CID 19263590
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
3-bromo-N-(4-methyl-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462088
4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 903278
3-amino-4-bromo-N-(4-methyl-2-nitrophenyl)benzamide
CID 107812904
1-(4-chlorophenyl)-5-methyl-N-(4-methyl-2-nitrophenyl)triazole-4-carboxamide
CID 16651356
4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262689
5-bromo-2-chloro-N-(4-methyl-2-nitrophenyl)benzamide
CID 2886785
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoate
CID 7067902
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 19262709

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide (CID 19262728) is 4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2nn(C)cc2Br)c([N+](=O)[O-])c1.
What is the InChIKey of 4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is YASDDESOMIPPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3/c1-7-3-4-9(10(5-7)17(19)20)14-12(18)11-8(13)6-16(2)15-11/h3-6H,1-2H3,(H,14,18).
What are the key properties of 4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide?
4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 339.15 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19262728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).