2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide

C9H14BrN3O — CID 122155125

IUPAC2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide
SMILESCC(C)(C)c1nn(CC(N)=O)cc1Br
InChIInChI=1S/C9H14BrN3O/c1-9(2,3)8-6(10)4-13(12-8)5-7(11)14/h4H,5H2,1-3H3,(H2,11,14)
InChIKeyUFLYSJYYQLCYKC-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.43
Rot. Bonds2

About 2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide

2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide (PubChem CID 122155125) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide
PubChem CID122155125
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide
SMILESCC(C)(C)c1nn(CC(N)=O)cc1Br
InChIInChI=1S/C9H14BrN3O/c1-9(2,3)8-6(10)4-13(12-8)5-7(11)14/h4H,5H2,1-3H3,(H2,11,14)
InChIKeyUFLYSJYYQLCYKC-UHFFFAOYSA-N
XLogP1.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide?
The IUPAC name of 2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide (CID 122155125) is 2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide?
The canonical SMILES for 2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide is CC(C)(C)c1nn(CC(N)=O)cc1Br.
What is the InChIKey of 2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide?
The InChIKey is UFLYSJYYQLCYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-9(2,3)8-6(10)4-13(12-8)5-7(11)14/h4H,5H2,1-3H3,(H2,11,14).
What are the key properties of 2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide?
2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide has a molecular weight of 260.13 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-tert-butylpyrazol-1-yl)acetamide is sourced from PubChem (CID 122155125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).