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

C6H9BrN2O2 — CID 117231747

IUPAC2-(5-bromo-4-methoxypyrazol-1-yl)ethanol
SMILESCOc1cnn(CCO)c1Br
InChIInChI=1S/C6H9BrN2O2/c1-11-5-4-8-9(2-3-10)6(5)7/h4,10H,2-3H2,1H3
InChIKeyAPTLHMZALLFAKN-UHFFFAOYSA-N
MW221.05 g/mol
LogP0.65
Rot. Bonds3

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

2-(5-bromo-4-methoxypyrazol-1-yl)ethanol (PubChem CID 117231747) has the molecular formula C6H9BrN2O2 and a molecular weight of 221.05 g/mol. Its IUPAC name is 2-(5-bromo-4-methoxypyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-4-methoxypyrazol-1-yl)ethanol
PubChem CID117231747
Molecular FormulaC6H9BrN2O2
Molecular Weight221.05 g/mol
Exact Mass219.98
IUPAC Name2-(5-bromo-4-methoxypyrazol-1-yl)ethanol
SMILESCOc1cnn(CCO)c1Br
InChIInChI=1S/C6H9BrN2O2/c1-11-5-4-8-9(2-3-10)6(5)7/h4,10H,2-3H2,1H3
InChIKeyAPTLHMZALLFAKN-UHFFFAOYSA-N
XLogP0.65
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-methoxy-1-(3-methoxypropyl)pyrazole
CID 117231715
5-bromo-1-[(4-fluorophenyl)methyl]-4-methoxypyrazole
CID 117232705
2-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114662423
3-[(5-bromo-4-methoxypyrazol-1-yl)methyl]-1-methylpiperidine
CID 117232375
5-bromo-1-(3-methoxypropyl)-4-phenoxypyrazole
CID 117231699
5-bromo-4-cyclohexyloxy-1-(3-methoxypropyl)pyrazole
CID 117231707
2-(4,5-dimethylpyrazol-1-yl)ethanol
CID 58514590
4-cyclohepta-1,4,6-trien-1-yl-2-(2-hydroxyethyl)-5-methoxypyridazin-3-one
CID 143090973
5-chloro-4-methoxy-1-(3-methoxypropyl)pyrazole
CID 117231713
[4-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]methanol
CID 140747707
5-(3-bromopropyl)-4-methoxy-1-methylpyrazole
CID 114665346
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
CID 94267593

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methoxypyrazol-1-yl)ethanol?
The IUPAC name of 2-(5-bromo-4-methoxypyrazol-1-yl)ethanol (CID 117231747) is 2-(5-bromo-4-methoxypyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-4-methoxypyrazol-1-yl)ethanol?
The canonical SMILES for 2-(5-bromo-4-methoxypyrazol-1-yl)ethanol is COc1cnn(CCO)c1Br.
What is the InChIKey of 2-(5-bromo-4-methoxypyrazol-1-yl)ethanol?
The InChIKey is APTLHMZALLFAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O2/c1-11-5-4-8-9(2-3-10)6(5)7/h4,10H,2-3H2,1H3.
What are the key properties of 2-(5-bromo-4-methoxypyrazol-1-yl)ethanol?
2-(5-bromo-4-methoxypyrazol-1-yl)ethanol has a molecular weight of 221.05 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methoxypyrazol-1-yl)ethanol is sourced from PubChem (CID 117231747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).