[1-(2,2-difluoroethyl)pyrazol-3-yl]methanol

C6H8F2N2O — CID 50896840

IUPAC[1-(2,2-difluoroethyl)pyrazol-3-yl]methanol
SMILESOCc1ccn(CC(F)F)n1
InChIInChI=1S/C6H8F2N2O/c7-6(8)3-10-2-1-5(4-11)9-10/h1-2,6,11H,3-4H2
InChIKeyFPMDCKWPDBCCJL-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.64
Rot. Bonds3

About [1-(2,2-difluoroethyl)pyrazol-3-yl]methanol

[1-(2,2-difluoroethyl)pyrazol-3-yl]methanol (PubChem CID 50896840) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)pyrazol-3-yl]methanol
PubChem CID50896840
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name[1-(2,2-difluoroethyl)pyrazol-3-yl]methanol
SMILESOCc1ccn(CC(F)F)n1
InChIInChI=1S/C6H8F2N2O/c7-6(8)3-10-2-1-5(4-11)9-10/h1-2,6,11H,3-4H2
InChIKeyFPMDCKWPDBCCJL-UHFFFAOYSA-N
XLogP0.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-(2,2-difluoroethyl)pyrazol-3-yl]methanol (CID 50896840) is [1-(2,2-difluoroethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-(2,2-difluoroethyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-(2,2-difluoroethyl)pyrazol-3-yl]methanol is OCc1ccn(CC(F)F)n1.
What is the InChIKey of [1-(2,2-difluoroethyl)pyrazol-3-yl]methanol?
The InChIKey is FPMDCKWPDBCCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c7-6(8)3-10-2-1-5(4-11)9-10/h1-2,6,11H,3-4H2.
What are the key properties of [1-(2,2-difluoroethyl)pyrazol-3-yl]methanol?
[1-(2,2-difluoroethyl)pyrazol-3-yl]methanol has a molecular weight of 162.14 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 50896840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).