1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one

C7H9FN2O — CID 155347559

IUPAC1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cnn(C)c1F
InChIInChI=1S/C7H9FN2O/c1-5(11)3-6-4-9-10(2)7(6)8/h4H,3H2,1-2H3
InChIKeyKOLBHLMKJBTUOZ-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.69
Rot. Bonds2

About 1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one

1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one (PubChem CID 155347559) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one
PubChem CID155347559
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one
SMILESCC(=O)Cc1cnn(C)c1F
InChIInChI=1S/C7H9FN2O/c1-5(11)3-6-4-9-10(2)7(6)8/h4H,3H2,1-2H3
InChIKeyKOLBHLMKJBTUOZ-UHFFFAOYSA-N
XLogP0.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.69
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)propan-2-one?
The IUPAC name of 1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one (CID 155347559) is 1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one is CC(=O)Cc1cnn(C)c1F.
What is the InChIKey of 1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one?
The InChIKey is KOLBHLMKJBTUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-5(11)3-6-4-9-10(2)7(6)8/h4H,3H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one?
1-(5-fluoro-1-methylpyrazol-4-yl)propan-2-one has a molecular weight of 156.16 g/mol, XLogP of 0.69, 2 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)propan-2-one is sourced from PubChem (CID 155347559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).