2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol

C8H13BrN2O — CID 83390688

IUPAC2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol
SMILESCC(C)n1ncc(Br)c1CCO
InChIInChI=1S/C8H13BrN2O/c1-6(2)11-8(3-4-12)7(9)5-10-11/h5-6,12H,3-4H2,1-2H3
InChIKeyJJSZJCWYNVLMEF-UHFFFAOYSA-N
MW233.11 g/mol
LogP1.76
Rot. Bonds3

About 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol

2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol (PubChem CID 83390688) has the molecular formula C8H13BrN2O and a molecular weight of 233.11 g/mol. Its IUPAC name is 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol
PubChem CID83390688
Molecular FormulaC8H13BrN2O
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol
SMILESCC(C)n1ncc(Br)c1CCO
InChIInChI=1S/C8H13BrN2O/c1-6(2)11-8(3-4-12)7(9)5-10-11/h5-6,12H,3-4H2,1-2H3
InChIKeyJJSZJCWYNVLMEF-UHFFFAOYSA-N
XLogP1.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol?
The IUPAC name of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol (CID 83390688) is 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol is CC(C)n1ncc(Br)c1CCO.
What is the InChIKey of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol?
The InChIKey is JJSZJCWYNVLMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O/c1-6(2)11-8(3-4-12)7(9)5-10-11/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol?
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol has a molecular weight of 233.11 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol is sourced from PubChem (CID 83390688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).