2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol

C14H16BrFN2O — CID 105118256

IUPAC2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1C(O)Cc1cccc(F)c1Br
InChIInChI=1S/C14H16BrFN2O/c1-3-18-12(7-9(2)17-18)13(19)8-10-5-4-6-11(16)14(10)15/h4-7,13,19H,3,8H2,1-2H3
InChIKeyZKRHTOYKUNUTHN-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.39
Rot. Bonds4

About 2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol

2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol (PubChem CID 105118256) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
PubChem CID105118256
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
SMILESCCn1nc(C)cc1C(O)Cc1cccc(F)c1Br
InChIInChI=1S/C14H16BrFN2O/c1-3-18-12(7-9(2)17-18)13(19)8-10-5-4-6-11(16)14(10)15/h4-7,13,19H,3,8H2,1-2H3
InChIKeyZKRHTOYKUNUTHN-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.39
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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2-(2-bromo-3-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanol
CID 115826420
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1-(2-ethyl-5-methylpyrazol-3-yl)butan-1-ol
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1-(2-ethyl-5-methylpyrazol-3-yl)heptan-1-ol
CID 105085263
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
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CID 63977415

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol (CID 105118256) is 2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol is CCn1nc(C)cc1C(O)Cc1cccc(F)c1Br.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
The InChIKey is ZKRHTOYKUNUTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-3-18-12(7-9(2)17-18)13(19)8-10-5-4-6-11(16)14(10)15/h4-7,13,19H,3,8H2,1-2H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol?
2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol has a molecular weight of 327.20 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 105118256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).