1-(4-fluoropyrazol-1-yl)propan-1-one

C6H7FN2O — CID 175613904

IUPAC1-(4-fluoropyrazol-1-yl)propan-1-one
SMILESCCC(=O)n1cc(F)cn1
InChIInChI=1S/C6H7FN2O/c1-2-6(10)9-4-5(7)3-8-9/h3-4H,2H2,1H3
InChIKeyWFQZQMLTLUQLHV-UHFFFAOYSA-N
MW142.13 g/mol
LogP1.07
Rot. Bonds1

About 1-(4-fluoropyrazol-1-yl)propan-1-one

1-(4-fluoropyrazol-1-yl)propan-1-one (PubChem CID 175613904) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 1-(4-fluoropyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluoropyrazol-1-yl)propan-1-one
PubChem CID175613904
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name1-(4-fluoropyrazol-1-yl)propan-1-one
SMILESCCC(=O)n1cc(F)cn1
InChIInChI=1S/C6H7FN2O/c1-2-6(10)9-4-5(7)3-8-9/h3-4H,2H2,1H3
InChIKeyWFQZQMLTLUQLHV-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropyrazol-1-yl)propan-1-one?
The IUPAC name of 1-(4-fluoropyrazol-1-yl)propan-1-one (CID 175613904) is 1-(4-fluoropyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-fluoropyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-(4-fluoropyrazol-1-yl)propan-1-one is CCC(=O)n1cc(F)cn1.
What is the InChIKey of 1-(4-fluoropyrazol-1-yl)propan-1-one?
The InChIKey is WFQZQMLTLUQLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-2-6(10)9-4-5(7)3-8-9/h3-4H,2H2,1H3.
What are the key properties of 1-(4-fluoropyrazol-1-yl)propan-1-one?
1-(4-fluoropyrazol-1-yl)propan-1-one has a molecular weight of 142.13 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-(4-fluoropyrazol-1-yl)propan-1-one is sourced from PubChem (CID 175613904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).