2-(5-bromo-1-ethylpyrazol-4-yl)acetamide

C7H10BrN3O — CID 166560098

IUPAC2-(5-bromo-1-ethylpyrazol-4-yl)acetamide
SMILESCCn1ncc(CC(N)=O)c1Br
InChIInChI=1S/C7H10BrN3O/c1-2-11-7(8)5(4-10-11)3-6(9)12/h4H,2-3H2,1H3,(H2,9,12)
InChIKeyGXWCFEQOGVYKSO-UHFFFAOYSA-N
MW232.08 g/mol
LogP0.69
Rot. Bonds3

About 2-(5-bromo-1-ethylpyrazol-4-yl)acetamide

2-(5-bromo-1-ethylpyrazol-4-yl)acetamide (PubChem CID 166560098) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-(5-bromo-1-ethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-1-ethylpyrazol-4-yl)acetamide
PubChem CID166560098
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name2-(5-bromo-1-ethylpyrazol-4-yl)acetamide
SMILESCCn1ncc(CC(N)=O)c1Br
InChIInChI=1S/C7H10BrN3O/c1-2-11-7(8)5(4-10-11)3-6(9)12/h4H,2-3H2,1H3,(H2,9,12)
InChIKeyGXWCFEQOGVYKSO-UHFFFAOYSA-N
XLogP0.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-1-ethylpyrazol-4-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

3-amino-2-(5-bromo-1-ethylpyrazol-4-yl)propanoic acid
CID 84806940
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
1-[(5-bromo-1-ethylpyrazol-4-yl)methyl]piperazine
CID 84810022
1-ethyl-5-methoxypyrazole-4-carboxamide
CID 135349343
1-(5-amino-1-ethylpyrazol-4-yl)ethanone
CID 119054334
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669734
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
CID 114671231
1-(4-bromo-1-ethylpyrazol-5-yl)hexan-3-one
CID 114663551
2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]ethylurea
CID 114441212
2-(4-bromo-5-methylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19575088
4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506
(1-ethyl-5-fluoropyrazol-4-yl)methanamine
CID 115011510

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-ethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(5-bromo-1-ethylpyrazol-4-yl)acetamide (CID 166560098) is 2-(5-bromo-1-ethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-1-ethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(5-bromo-1-ethylpyrazol-4-yl)acetamide is CCn1ncc(CC(N)=O)c1Br.
What is the InChIKey of 2-(5-bromo-1-ethylpyrazol-4-yl)acetamide?
The InChIKey is GXWCFEQOGVYKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-2-11-7(8)5(4-10-11)3-6(9)12/h4H,2-3H2,1H3,(H2,9,12).
What are the key properties of 2-(5-bromo-1-ethylpyrazol-4-yl)acetamide?
2-(5-bromo-1-ethylpyrazol-4-yl)acetamide has a molecular weight of 232.08 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-ethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 166560098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).