2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol

C13H14BrFN2O — CID 105086618

IUPAC2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2cc(Br)ccc2F)n(C)n1
InChIInChI=1S/C13H14BrFN2O/c1-8-5-12(17(2)16-8)13(18)7-9-6-10(14)3-4-11(9)15/h3-6,13,18H,7H2,1-2H3
InChIKeyLGDISAWOXIBYPK-UHFFFAOYSA-N
MW313.17 g/mol
LogP2.91
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol

2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol (PubChem CID 105086618) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
PubChem CID105086618
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2cc(Br)ccc2F)n(C)n1
InChIInChI=1S/C13H14BrFN2O/c1-8-5-12(17(2)16-8)13(18)7-9-6-10(14)3-4-11(9)15/h3-6,13,18H,7H2,1-2H3
InChIKeyLGDISAWOXIBYPK-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105086539
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1-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanol
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2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
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1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
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2-(5-bromo-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanol
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1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
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2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105105539
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
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CID 115784984

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol (CID 105086618) is 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol is Cc1cc(C(O)Cc2cc(Br)ccc2F)n(C)n1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The InChIKey is LGDISAWOXIBYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-8-5-12(17(2)16-8)13(18)7-9-6-10(14)3-4-11(9)15/h3-6,13,18H,7H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol has a molecular weight of 313.17 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 105086618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).