1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone

C7H9FN2O — CID 18718222

IUPAC1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone
SMILESCC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C7H9FN2O/c1-4-6(5(2)11)7(8)10(3)9-4/h1-3H3
InChIKeyQJAGTJSJPOZGMC-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.07
Rot. Bonds1

About 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone

1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone (PubChem CID 18718222) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone
PubChem CID18718222
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone
SMILESCC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C7H9FN2O/c1-4-6(5(2)11)7(8)10(3)9-4/h1-3H3
InChIKeyQJAGTJSJPOZGMC-UHFFFAOYSA-N
XLogP1.07
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone (CID 18718222) is 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone is CC(=O)c1c(C)nn(C)c1F.
What is the InChIKey of 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone?
The InChIKey is QJAGTJSJPOZGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-4-6(5(2)11)7(8)10(3)9-4/h1-3H3.
What are the key properties of 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone?
1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone has a molecular weight of 156.16 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 18718222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).