4-fluoro-5-propyl-1,2-dihydropyrazol-3-one

C6H9FN2O — CID 12859027

IUPAC4-fluoro-5-propyl-1,2-dihydropyrazol-3-one
SMILESCCCc1[nH][nH]c(=O)c1F
InChIInChI=1S/C6H9FN2O/c1-2-3-4-5(7)6(10)9-8-4/h2-3H2,1H3,(H2,8,9,10)
InChIKeyAOGKDABMTAFTGT-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.79
Rot. Bonds2

About 4-fluoro-5-propyl-1,2-dihydropyrazol-3-one

4-fluoro-5-propyl-1,2-dihydropyrazol-3-one (PubChem CID 12859027) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 4-fluoro-5-propyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-fluoro-5-propyl-1,2-dihydropyrazol-3-one
PubChem CID12859027
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name4-fluoro-5-propyl-1,2-dihydropyrazol-3-one
SMILESCCCc1[nH][nH]c(=O)c1F
InChIInChI=1S/C6H9FN2O/c1-2-3-4-5(7)6(10)9-8-4/h2-3H2,1H3,(H2,8,9,10)
InChIKeyAOGKDABMTAFTGT-UHFFFAOYSA-N
XLogP0.79
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-fluoro-5-propyl-1,2-dihydropyrazol-3-one (CID 12859027) is 4-fluoro-5-propyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-fluoro-5-propyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-fluoro-5-propyl-1,2-dihydropyrazol-3-one is CCCc1[nH][nH]c(=O)c1F.
What is the InChIKey of 4-fluoro-5-propyl-1,2-dihydropyrazol-3-one?
The InChIKey is AOGKDABMTAFTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-2-3-4-5(7)6(10)9-8-4/h2-3H2,1H3,(H2,8,9,10).
What are the key properties of 4-fluoro-5-propyl-1,2-dihydropyrazol-3-one?
4-fluoro-5-propyl-1,2-dihydropyrazol-3-one has a molecular weight of 144.15 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 12859027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).