2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide

C9H14BrN3O — CID 82110482

IUPAC2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
SMILESCc1cc(C)n(CCNC(=O)CBr)n1
InChIInChI=1S/C9H14BrN3O/c1-7-5-8(2)13(12-7)4-3-11-9(14)6-10/h5H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyASOSBLOTCSSYKC-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.01
Rot. Bonds4

About 2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide

2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide (PubChem CID 82110482) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
PubChem CID82110482
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
SMILESCc1cc(C)n(CCNC(=O)CBr)n1
InChIInChI=1S/C9H14BrN3O/c1-7-5-8(2)13(12-7)4-3-11-9(14)6-10/h5H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyASOSBLOTCSSYKC-UHFFFAOYSA-N
XLogP1.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pentanamide
CID 71782926
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pent-4-enamide
CID 71782924
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethoxy)acetamide
CID 103601796
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide
CID 115574280
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethylpyrazol-1-yl)ethyl]urea
CID 110747708
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]hydroxylamine
CID 122626197
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110716692
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 35761321
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide (CID 82110482) is 2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide is Cc1cc(C)n(CCNC(=O)CBr)n1.
What is the InChIKey of 2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is ASOSBLOTCSSYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-7-5-8(2)13(12-7)4-3-11-9(14)6-10/h5H,3-4,6H2,1-2H3,(H,11,14).
What are the key properties of 2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide?
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 260.13 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 82110482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).