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

C11H10F2N2O — CID 134518635

IUPAC1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(-c2ccc(F)cc2F)c1
InChIInChI=1S/C11H10F2N2O/c1-7(16)8-5-14-15(6-8)11-3-2-9(12)4-10(11)13/h2-7,16H,1H3
InChIKeySOTFTQYADVZCNW-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.20
Rot. Bonds2

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

1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol (PubChem CID 134518635) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol
PubChem CID134518635
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(-c2ccc(F)cc2F)c1
InChIInChI=1S/C11H10F2N2O/c1-7(16)8-5-14-15(6-8)11-3-2-9(12)4-10(11)13/h2-7,16H,1H3
InChIKeySOTFTQYADVZCNW-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol (CID 134518635) is 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol is CC(O)c1cnn(-c2ccc(F)cc2F)c1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol?
The InChIKey is SOTFTQYADVZCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-7(16)8-5-14-15(6-8)11-3-2-9(12)4-10(11)13/h2-7,16H,1H3.
What are the key properties of 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol?
1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol has a molecular weight of 224.21 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 134518635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).