2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol

C12H13BrN2O2 — CID 116818802

IUPAC2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol
SMILESCOc1ccc(-n2cc(Br)c(CCO)n2)cc1
InChIInChI=1S/C12H13BrN2O2/c1-17-10-4-2-9(3-5-10)15-8-11(13)12(14-15)6-7-16/h2-5,8,16H,6-7H2,1H3
InChIKeyQXHJMZDXNSDXAC-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.18
Rot. Bonds4

About 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol

2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol (PubChem CID 116818802) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol
PubChem CID116818802
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol
SMILESCOc1ccc(-n2cc(Br)c(CCO)n2)cc1
InChIInChI=1S/C12H13BrN2O2/c1-17-10-4-2-9(3-5-10)15-8-11(13)12(14-15)6-7-16/h2-5,8,16H,6-7H2,1H3
InChIKeyQXHJMZDXNSDXAC-UHFFFAOYSA-N
XLogP2.18
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 116818582
[3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 138506131
7-bromo-5-methoxy-2-(4-methoxyphenyl)indazole
CID 176556601
3-[4-bromo-1-(3-methoxyphenyl)pyrazol-3-yl]propanoic acid
CID 116818732
2-[5-bromo-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]ethanol
CID 116817986
methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 66778583
4-(bromomethyl)-1-(4-methoxyphenyl)-3-methylpyrazole
CID 84617727
3-bromo-1-(4-methoxyphenyl)pyrazole
CID 84707783
ethyl 3-bromo-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 138506113
2-(4-methyl-1-phenylpyrazol-3-yl)ethanol
CID 142747347
2-[4-bromo-1-(4-ethylphenyl)pyrazol-3-yl]ethanamine
CID 116818567
2,2,2-trifluoro-1-[4-(hydroxymethyl)-1-(4-methoxyphenyl)pyrazol-3-yl]ethanone
CID 150278634

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol?
The IUPAC name of 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol (CID 116818802) is 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol?
The canonical SMILES for 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol is COc1ccc(-n2cc(Br)c(CCO)n2)cc1.
What is the InChIKey of 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol?
The InChIKey is QXHJMZDXNSDXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-17-10-4-2-9(3-5-10)15-8-11(13)12(14-15)6-7-16/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol?
2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol has a molecular weight of 297.15 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-(4-methoxyphenyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 116818802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).