2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol

C11H10BrFN2O — CID 109411732

IUPAC2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
SMILESOC(Cn1cc(Br)cn1)c1ccccc1F
InChIInChI=1S/C11H10BrFN2O/c12-8-5-14-15(6-8)7-11(16)9-3-1-2-4-10(9)13/h1-6,11,16H,7H2
InChIKeyMEQRDXJGWSQRGU-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.52
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol

2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol (PubChem CID 109411732) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
PubChem CID109411732
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol
SMILESOC(Cn1cc(Br)cn1)c1ccccc1F
InChIInChI=1S/C11H10BrFN2O/c12-8-5-14-15(6-8)7-11(16)9-3-1-2-4-10(9)13/h1-6,11,16H,7H2
InChIKeyMEQRDXJGWSQRGU-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol (CID 109411732) is 2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol is OC(Cn1cc(Br)cn1)c1ccccc1F.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol?
The InChIKey is MEQRDXJGWSQRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c12-8-5-14-15(6-8)7-11(16)9-3-1-2-4-10(9)13/h1-6,11,16H,7H2.
What are the key properties of 2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol?
2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol has a molecular weight of 285.12 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 109411732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).