2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one

C11H11FN2O — CID 142660923

IUPAC2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one
SMILESCCn1[nH]c(F)c(-c2ccccc2)c1=O
InChIInChI=1S/C11H11FN2O/c1-2-14-11(15)9(10(12)13-14)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3
InChIKeyAUYBEADBGILWRM-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.00
Rot. Bonds2

About 2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one

2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one (PubChem CID 142660923) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one
PubChem CID142660923
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one
SMILESCCn1[nH]c(F)c(-c2ccccc2)c1=O
InChIInChI=1S/C11H11FN2O/c1-2-14-11(15)9(10(12)13-14)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3
InChIKeyAUYBEADBGILWRM-UHFFFAOYSA-N
XLogP2.00
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one (CID 142660923) is 2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one is CCn1[nH]c(F)c(-c2ccccc2)c1=O.
What is the InChIKey of 2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one?
The InChIKey is AUYBEADBGILWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-2-14-11(15)9(10(12)13-14)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3.
What are the key properties of 2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one?
2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one has a molecular weight of 206.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-4-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 142660923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).