1-(2,2-difluoroethyl)pyrazol-4-ol

C5H6F2N2O — CID 116799413

IUPAC1-(2,2-difluoroethyl)pyrazol-4-ol
SMILESOc1cnn(CC(F)F)c1
InChIInChI=1S/C5H6F2N2O/c6-5(7)3-9-2-4(10)1-8-9/h1-2,5,10H,3H2
InChIKeyQJXRBBINZQXWEY-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.85
Rot. Bonds2

About 1-(2,2-difluoroethyl)pyrazol-4-ol

1-(2,2-difluoroethyl)pyrazol-4-ol (PubChem CID 116799413) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrazol-4-ol
PubChem CID116799413
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name1-(2,2-difluoroethyl)pyrazol-4-ol
SMILESOc1cnn(CC(F)F)c1
InChIInChI=1S/C5H6F2N2O/c6-5(7)3-9-2-4(10)1-8-9/h1-2,5,10H,3H2
InChIKeyQJXRBBINZQXWEY-UHFFFAOYSA-N
XLogP0.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.85
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-4-ol?
The IUPAC name of 1-(2,2-difluoroethyl)pyrazol-4-ol (CID 116799413) is 1-(2,2-difluoroethyl)pyrazol-4-ol.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrazol-4-ol?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrazol-4-ol is Oc1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrazol-4-ol?
The InChIKey is QJXRBBINZQXWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c6-5(7)3-9-2-4(10)1-8-9/h1-2,5,10H,3H2.
What are the key properties of 1-(2,2-difluoroethyl)pyrazol-4-ol?
1-(2,2-difluoroethyl)pyrazol-4-ol has a molecular weight of 148.11 g/mol, XLogP of 0.85, 2 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-4-ol is sourced from PubChem (CID 116799413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).