2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one

C11H10F2N2O — CID 43084354

IUPAC2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one
SMILESCCC1=NN(c2ccc(F)cc2F)C(=O)C1
InChIInChI=1S/C11H10F2N2O/c1-2-8-6-11(16)15(14-8)10-4-3-7(12)5-9(10)13/h3-5H,2,6H2,1H3
InChIKeyNUMJKCCVDGPOCK-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.47
Rot. Bonds2

About 2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one

2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one (PubChem CID 43084354) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one
PubChem CID43084354
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one
SMILESCCC1=NN(c2ccc(F)cc2F)C(=O)C1
InChIInChI=1S/C11H10F2N2O/c1-2-8-6-11(16)15(14-8)10-4-3-7(12)5-9(10)13/h3-5H,2,6H2,1H3
InChIKeyNUMJKCCVDGPOCK-UHFFFAOYSA-N
XLogP2.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one?
The IUPAC name of 2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one (CID 43084354) is 2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one is CCC1=NN(c2ccc(F)cc2F)C(=O)C1.
What is the InChIKey of 2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one?
The InChIKey is NUMJKCCVDGPOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-2-8-6-11(16)15(14-8)10-4-3-7(12)5-9(10)13/h3-5H,2,6H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one?
2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one has a molecular weight of 224.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-5-ethyl-4H-pyrazol-3-one is sourced from PubChem (CID 43084354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).