2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol

C6H6BrF3N2O — CID 142746839

IUPAC2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOCCn1nc(C(F)(F)F)cc1Br
InChIInChI=1S/C6H6BrF3N2O/c7-5-3-4(6(8,9)10)11-12(5)1-2-13/h3,13H,1-2H2
InChIKeyGESGBHQZMCDWRQ-UHFFFAOYSA-N
MW259.02 g/mol
LogP1.66
Rot. Bonds2

About 2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol

2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol (PubChem CID 142746839) has the molecular formula C6H6BrF3N2O and a molecular weight of 259.02 g/mol. Its IUPAC name is 2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol
PubChem CID142746839
Molecular FormulaC6H6BrF3N2O
Molecular Weight259.02 g/mol
Exact Mass257.96
IUPAC Name2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol
SMILESOCCn1nc(C(F)(F)F)cc1Br
InChIInChI=1S/C6H6BrF3N2O/c7-5-3-4(6(8,9)10)11-12(5)1-2-13/h3,13H,1-2H2
InChIKeyGESGBHQZMCDWRQ-UHFFFAOYSA-N
XLogP1.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.02
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol (CID 142746839) is 2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol is OCCn1nc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
The InChIKey is GESGBHQZMCDWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF3N2O/c7-5-3-4(6(8,9)10)11-12(5)1-2-13/h3,13H,1-2H2.
What are the key properties of 2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol?
2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol has a molecular weight of 259.02 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 142746839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).