2-(2,2-difluoroethyl)-1H-pyrazol-5-one

C5H6F2N2O — CID 175710350

IUPAC2-(2,2-difluoroethyl)-1H-pyrazol-5-one
SMILESO=c1ccn(CC(F)F)[nH]1
InChIInChI=1S/C5H6F2N2O/c6-4(7)3-9-2-1-5(10)8-9/h1-2,4H,3H2,(H,8,10)
InChIKeyANYGYTRSQJYEOL-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.44
Rot. Bonds2

About 2-(2,2-difluoroethyl)-1H-pyrazol-5-one

2-(2,2-difluoroethyl)-1H-pyrazol-5-one (PubChem CID 175710350) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-1H-pyrazol-5-one
PubChem CID175710350
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name2-(2,2-difluoroethyl)-1H-pyrazol-5-one
SMILESO=c1ccn(CC(F)F)[nH]1
InChIInChI=1S/C5H6F2N2O/c6-4(7)3-9-2-1-5(10)8-9/h1-2,4H,3H2,(H,8,10)
InChIKeyANYGYTRSQJYEOL-UHFFFAOYSA-N
XLogP0.44
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-1H-pyrazol-5-one?
The IUPAC name of 2-(2,2-difluoroethyl)-1H-pyrazol-5-one (CID 175710350) is 2-(2,2-difluoroethyl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-1H-pyrazol-5-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-1H-pyrazol-5-one is O=c1ccn(CC(F)F)[nH]1.
What is the InChIKey of 2-(2,2-difluoroethyl)-1H-pyrazol-5-one?
The InChIKey is ANYGYTRSQJYEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c6-4(7)3-9-2-1-5(10)8-9/h1-2,4H,3H2,(H,8,10).
What are the key properties of 2-(2,2-difluoroethyl)-1H-pyrazol-5-one?
2-(2,2-difluoroethyl)-1H-pyrazol-5-one has a molecular weight of 148.11 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-1H-pyrazol-5-one is sourced from PubChem (CID 175710350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).