2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide

C6H7BrN4O3 — CID 1207991

IUPAC2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1CC(N)=O
InChIInChI=1S/C6H7BrN4O3/c1-3-5(7)6(11(13)14)9-10(3)2-4(8)12/h2H2,1H3,(H2,8,12)
InChIKeyJZPXRGIQGMLJEM-UHFFFAOYSA-N
MW263.05 g/mol
LogP0.35
Rot. Bonds3

About 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide

2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 1207991) has the molecular formula C6H7BrN4O3 and a molecular weight of 263.05 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID1207991
Molecular FormulaC6H7BrN4O3
Molecular Weight263.05 g/mol
Exact Mass261.97
IUPAC Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1CC(N)=O
InChIInChI=1S/C6H7BrN4O3/c1-3-5(7)6(11(13)14)9-10(3)2-4(8)12/h2H2,1H3,(H2,8,12)
InChIKeyJZPXRGIQGMLJEM-UHFFFAOYSA-N
XLogP0.35
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.05
LogP ≤ 50.35
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 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide 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-Bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid
CID 1230022
N-butyl-2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetamide
CID 3104807
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-cycloheptylacetamide
CID 1509848
2-(5-Methyl-3,4-dinitro-pyrazol-1-yl)-N-propyl-acetamide
CID 3104806
2-(4-Bromo-5-methyl-3-nitro-1H-pyrazol-1-YL)-N-isopropylacetamide
CID 749069
1-(Azepan-1-yl)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)ethanone
CID 749098
2-(4-Bromo-5-methyl-3-nitropyrazolyl)-1-(4-methylpiperazinyl)ethan-1-one
CID 742283
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 1101532
2-{4-bromo-3-nitro-5-methyl-1H-pyrazol-1-yl}-N-[3-(4-morpholinyl)propyl]acetamide
CID 1921982
2-(4-Bromo-5-methyl-3-nitropyrazol-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 2884302
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[3-(diethylamino)propyl]acetamide
CID 3106233
2-(4-bromo-5-methyl-3-nitropyrazolyl)-N-(2-methoxyethyl)acetamide
CID 3106234

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide (CID 1207991) is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide is Cc1c(Br)c([N+](=O)[O-])nn1CC(N)=O.
What is the InChIKey of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is JZPXRGIQGMLJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN4O3/c1-3-5(7)6(11(13)14)9-10(3)2-4(8)12/h2H2,1H3,(H2,8,12).
What are the key properties of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide?
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 263.05 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 1207991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).