2-(5-bromo-1-methylpyrazol-4-yl)ethanol

C6H9BrN2O — CID 84672842

IUPAC2-(5-bromo-1-methylpyrazol-4-yl)ethanol
SMILESCn1ncc(CCO)c1Br
InChIInChI=1S/C6H9BrN2O/c1-9-6(7)5(2-3-10)4-8-9/h4,10H,2-3H2,1H3
InChIKeyGCCDRIQJEWVFCO-UHFFFAOYSA-N
MW205.05 g/mol
LogP0.72
Rot. Bonds2

About 2-(5-bromo-1-methylpyrazol-4-yl)ethanol

2-(5-bromo-1-methylpyrazol-4-yl)ethanol (PubChem CID 84672842) has the molecular formula C6H9BrN2O and a molecular weight of 205.05 g/mol. Its IUPAC name is 2-(5-bromo-1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-1-methylpyrazol-4-yl)ethanol
PubChem CID84672842
Molecular FormulaC6H9BrN2O
Molecular Weight205.05 g/mol
Exact Mass203.99
IUPAC Name2-(5-bromo-1-methylpyrazol-4-yl)ethanol
SMILESCn1ncc(CCO)c1Br
InChIInChI=1S/C6H9BrN2O/c1-9-6(7)5(2-3-10)4-8-9/h4,10H,2-3H2,1H3
InChIKeyGCCDRIQJEWVFCO-UHFFFAOYSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(5-bromo-1-methylpyrazol-4-yl)ethanol (CID 84672842) is 2-(5-bromo-1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(5-bromo-1-methylpyrazol-4-yl)ethanol is Cn1ncc(CCO)c1Br.
What is the InChIKey of 2-(5-bromo-1-methylpyrazol-4-yl)ethanol?
The InChIKey is GCCDRIQJEWVFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O/c1-9-6(7)5(2-3-10)4-8-9/h4,10H,2-3H2,1H3.
What are the key properties of 2-(5-bromo-1-methylpyrazol-4-yl)ethanol?
2-(5-bromo-1-methylpyrazol-4-yl)ethanol has a molecular weight of 205.05 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 84672842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).