2,4-diethyl-3-fluoro-1H-pyrazol-5-one

C7H11FN2O — CID 89056895

IUPAC2,4-diethyl-3-fluoro-1H-pyrazol-5-one
SMILESCCc1c(F)n(CC)[nH]c1=O
InChIInChI=1S/C7H11FN2O/c1-3-5-6(8)10(4-2)9-7(5)11/h3-4H2,1-2H3,(H,9,11)
InChIKeyIVKIVRQAGWJPAI-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.90
Rot. Bonds2

About 2,4-diethyl-3-fluoro-1H-pyrazol-5-one

2,4-diethyl-3-fluoro-1H-pyrazol-5-one (PubChem CID 89056895) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 2,4-diethyl-3-fluoro-1H-pyrazol-5-one.

Molecular Properties

Compound Name2,4-diethyl-3-fluoro-1H-pyrazol-5-one
PubChem CID89056895
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name2,4-diethyl-3-fluoro-1H-pyrazol-5-one
SMILESCCc1c(F)n(CC)[nH]c1=O
InChIInChI=1S/C7H11FN2O/c1-3-5-6(8)10(4-2)9-7(5)11/h3-4H2,1-2H3,(H,9,11)
InChIKeyIVKIVRQAGWJPAI-UHFFFAOYSA-N
XLogP0.90
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-diethyl-3-fluoro-1H-pyrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-3-fluoro-1H-pyrazol-5-one?
The IUPAC name of 2,4-diethyl-3-fluoro-1H-pyrazol-5-one (CID 89056895) is 2,4-diethyl-3-fluoro-1H-pyrazol-5-one.
What is the SMILES notation for 2,4-diethyl-3-fluoro-1H-pyrazol-5-one?
The canonical SMILES for 2,4-diethyl-3-fluoro-1H-pyrazol-5-one is CCc1c(F)n(CC)[nH]c1=O.
What is the InChIKey of 2,4-diethyl-3-fluoro-1H-pyrazol-5-one?
The InChIKey is IVKIVRQAGWJPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-3-5-6(8)10(4-2)9-7(5)11/h3-4H2,1-2H3,(H,9,11).
What are the key properties of 2,4-diethyl-3-fluoro-1H-pyrazol-5-one?
2,4-diethyl-3-fluoro-1H-pyrazol-5-one has a molecular weight of 158.18 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-3-fluoro-1H-pyrazol-5-one is sourced from PubChem (CID 89056895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).