2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol

C11H10F2N2O — CID 3620986

IUPAC2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C11H10F2N2O/c12-10-3-8(4-11(13)5-10)9-6-14-15(7-9)1-2-16/h3-7,16H,1-2H2
InChIKeyJLBMKKOZBNOUOX-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.82
Rot. Bonds3

About 2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol

2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol (PubChem CID 3620986) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol
PubChem CID3620986
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C11H10F2N2O/c12-10-3-8(4-11(13)5-10)9-6-14-15(7-9)1-2-16/h3-7,16H,1-2H2
InChIKeyJLBMKKOZBNOUOX-UHFFFAOYSA-N
XLogP1.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol (CID 3620986) is 2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol is OCCn1cc(-c2cc(F)cc(F)c2)cn1.
What is the InChIKey of 2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol?
The InChIKey is JLBMKKOZBNOUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c12-10-3-8(4-11(13)5-10)9-6-14-15(7-9)1-2-16/h3-7,16H,1-2H2.
What are the key properties of 2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol?
2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol has a molecular weight of 224.21 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-difluorophenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 3620986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).