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

C13H14BrFN2O — CID 110017859

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)Cn1cc(Br)c(C)n1
InChIInChI=1S/C13H14BrFN2O/c1-8-5-10(15)3-4-11(8)13(18)7-17-6-12(14)9(2)16-17/h3-6,13,18H,7H2,1-2H3
InChIKeySKRUFAMZWGUEHW-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.14
Rot. Bonds3

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

2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 110017859) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
PubChem CID110017859
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)Cn1cc(Br)c(C)n1
InChIInChI=1S/C13H14BrFN2O/c1-8-5-10(15)3-4-11(8)13(18)7-17-6-12(14)9(2)16-17/h3-6,13,18H,7H2,1-2H3
InChIKeySKRUFAMZWGUEHW-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol (CID 110017859) is 2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1C(O)Cn1cc(Br)c(C)n1.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is SKRUFAMZWGUEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c1-8-5-10(15)3-4-11(8)13(18)7-17-6-12(14)9(2)16-17/h3-6,13,18H,7H2,1-2H3.
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol?
2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 313.17 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 110017859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).