2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol

C15H18BrFN2O — CID 115812795

IUPAC2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
SMILESCCn1nc(C)c(Br)c1CC(O)c1cc(C)ccc1F
InChIInChI=1S/C15H18BrFN2O/c1-4-19-13(15(16)10(3)18-19)8-14(20)11-7-9(2)5-6-12(11)17/h5-7,14,20H,4,8H2,1-3H3
InChIKeyLPPYIGHUIGUJMR-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.70
Rot. Bonds4

About 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol (PubChem CID 115812795) has the molecular formula C15H18BrFN2O and a molecular weight of 341.22 g/mol. Its IUPAC name is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
PubChem CID115812795
Molecular FormulaC15H18BrFN2O
Molecular Weight341.22 g/mol
Exact Mass340.06
IUPAC Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
SMILESCCn1nc(C)c(Br)c1CC(O)c1cc(C)ccc1F
InChIInChI=1S/C15H18BrFN2O/c1-4-19-13(15(16)10(3)18-19)8-14(20)11-7-9(2)5-6-12(11)17/h5-7,14,20H,4,8H2,1-3H3
InChIKeyLPPYIGHUIGUJMR-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanol
CID 115812822
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1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107469351
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79434400
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
The IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol (CID 115812795) is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol is CCn1nc(C)c(Br)c1CC(O)c1cc(C)ccc1F.
What is the InChIKey of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
The InChIKey is LPPYIGHUIGUJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2O/c1-4-19-13(15(16)10(3)18-19)8-14(20)11-7-9(2)5-6-12(11)17/h5-7,14,20H,4,8H2,1-3H3.
What are the key properties of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol has a molecular weight of 341.22 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol is sourced from PubChem (CID 115812795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).