2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide

C9H14BrN3O — CID 119053913

IUPAC2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide
SMILESCC(C)(C)n1nccc1NC(=O)CBr
InChIInChI=1S/C9H14BrN3O/c1-9(2,3)13-7(4-5-11-13)12-8(14)6-10/h4-5H,6H2,1-3H3,(H,12,14)
InChIKeyZSCGIJYTNPIISH-UHFFFAOYSA-N
MW260.14 g/mol
LogP1.97
Rot. Bonds2

About 2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide

2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide (PubChem CID 119053913) has the molecular formula C9H14BrN3O and a molecular weight of 260.14 g/mol. Its IUPAC name is 2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide
PubChem CID119053913
Molecular FormulaC9H14BrN3O
Molecular Weight260.14 g/mol
Exact Mass259.03
IUPAC Name2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide
SMILESCC(C)(C)n1nccc1NC(=O)CBr
InChIInChI=1S/C9H14BrN3O/c1-9(2,3)13-7(4-5-11-13)12-8(14)6-10/h4-5H,6H2,1-3H3,(H,12,14)
InChIKeyZSCGIJYTNPIISH-UHFFFAOYSA-N
XLogP1.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide?
The IUPAC name of 2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide (CID 119053913) is 2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide is CC(C)(C)n1nccc1NC(=O)CBr.
What is the InChIKey of 2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide?
The InChIKey is ZSCGIJYTNPIISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-9(2,3)13-7(4-5-11-13)12-8(14)6-10/h4-5H,6H2,1-3H3,(H,12,14).
What are the key properties of 2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide?
2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide has a molecular weight of 260.14 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-tert-butylpyrazol-3-yl)acetamide is sourced from PubChem (CID 119053913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).