1-[1-(difluoromethyl)pyrazol-4-yl]ethanol

C6H8F2N2O — CID 172621986

IUPAC1-[1-(difluoromethyl)pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(C(F)F)c1
InChIInChI=1S/C6H8F2N2O/c1-4(11)5-2-9-10(3-5)6(7)8/h2-4,6,11H,1H3
InChIKeyNUCJCTKTJDCWBI-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.33
Rot. Bonds2

About 1-[1-(difluoromethyl)pyrazol-4-yl]ethanol

1-[1-(difluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 172621986) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrazol-4-yl]ethanol
PubChem CID172621986
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name1-[1-(difluoromethyl)pyrazol-4-yl]ethanol
SMILESCC(O)c1cnn(C(F)F)c1
InChIInChI=1S/C6H8F2N2O/c1-4(11)5-2-9-10(3-5)6(7)8/h2-4,6,11H,1H3
InChIKeyNUCJCTKTJDCWBI-UHFFFAOYSA-N
XLogP1.33
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(difluoromethyl)pyrazol-4-yl]ethanol (CID 172621986) is 1-[1-(difluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(difluoromethyl)pyrazol-4-yl]ethanol is CC(O)c1cnn(C(F)F)c1.
What is the InChIKey of 1-[1-(difluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is NUCJCTKTJDCWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-4(11)5-2-9-10(3-5)6(7)8/h2-4,6,11H,1H3.
What are the key properties of 1-[1-(difluoromethyl)pyrazol-4-yl]ethanol?
1-[1-(difluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 162.14 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 172621986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).