2-fluoro-1H-pyrazol-3-one

C3H3FN2O — CID 18614741

IUPAC2-fluoro-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1F
InChIInChI=1S/C3H3FN2O/c4-6-3(7)1-2-5-6/h1-2,5H
InChIKeyFAXIJMZMDUCOCR-UHFFFAOYSA-N
MW102.07 g/mol
LogP-0.09
Rot. Bonds

About 2-fluoro-1H-pyrazol-3-one

2-fluoro-1H-pyrazol-3-one (PubChem CID 18614741) has the molecular formula C3H3FN2O and a molecular weight of 102.07 g/mol. Its IUPAC name is 2-fluoro-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-fluoro-1H-pyrazol-3-one
PubChem CID18614741
Molecular FormulaC3H3FN2O
Molecular Weight102.07 g/mol
Exact Mass102.02
IUPAC Name2-fluoro-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1F
InChIInChI=1S/C3H3FN2O/c4-6-3(7)1-2-5-6/h1-2,5H
InChIKeyFAXIJMZMDUCOCR-UHFFFAOYSA-N
XLogP-0.09
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.07
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1H-pyrazol-3-one?
The IUPAC name of 2-fluoro-1H-pyrazol-3-one (CID 18614741) is 2-fluoro-1H-pyrazol-3-one.
What is the SMILES notation for 2-fluoro-1H-pyrazol-3-one?
The canonical SMILES for 2-fluoro-1H-pyrazol-3-one is O=c1cc[nH]n1F.
What is the InChIKey of 2-fluoro-1H-pyrazol-3-one?
The InChIKey is FAXIJMZMDUCOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN2O/c4-6-3(7)1-2-5-6/h1-2,5H.
What are the key properties of 2-fluoro-1H-pyrazol-3-one?
2-fluoro-1H-pyrazol-3-one has a molecular weight of 102.07 g/mol, XLogP of -0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1H-pyrazol-3-one is sourced from PubChem (CID 18614741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).