1-(5-fluoro-1-methylpyrazol-4-yl)ethanone

C6H7FN2O — CID 115011460

IUPAC1-(5-fluoro-1-methylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(C)c1F
InChIInChI=1S/C6H7FN2O/c1-4(10)5-3-8-9(2)6(5)7/h3H,1-2H3
InChIKeyOCNSKECXINGZTM-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.76
Rot. Bonds1

About 1-(5-fluoro-1-methylpyrazol-4-yl)ethanone

1-(5-fluoro-1-methylpyrazol-4-yl)ethanone (PubChem CID 115011460) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 1-(5-fluoro-1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-1-methylpyrazol-4-yl)ethanone
PubChem CID115011460
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name1-(5-fluoro-1-methylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cnn(C)c1F
InChIInChI=1S/C6H7FN2O/c1-4(10)5-3-8-9(2)6(5)7/h3H,1-2H3
InChIKeyOCNSKECXINGZTM-UHFFFAOYSA-N
XLogP0.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.76
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-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-fluoro-1-methylpyrazol-4-yl)ethanone (CID 115011460) is 1-(5-fluoro-1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-1-methylpyrazol-4-yl)ethanone is CC(=O)c1cnn(C)c1F.
What is the InChIKey of 1-(5-fluoro-1-methylpyrazol-4-yl)ethanone?
The InChIKey is OCNSKECXINGZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-4(10)5-3-8-9(2)6(5)7/h3H,1-2H3.
What are the key properties of 1-(5-fluoro-1-methylpyrazol-4-yl)ethanone?
1-(5-fluoro-1-methylpyrazol-4-yl)ethanone has a molecular weight of 142.13 g/mol, XLogP of 0.76, 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-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 115011460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).