4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one

C15H11FN4O — CID 139237960

IUPAC4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one
SMILES[H]/N=N/c1c(-c2ccccc2F)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C15H11FN4O/c16-12-9-5-4-8-11(12)13-14(18-17)15(21)20(19-13)10-6-2-1-3-7-10/h1-9,17,19H/b18-17+
InChIKeyUQIMXHVMOYWJFL-ISLYRVAYSA-N
MW282.28 g/mol
LogP3.63
Rot. Bonds3

About 4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one

4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one (PubChem CID 139237960) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one
PubChem CID139237960
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one
SMILES[H]/N=N/c1c(-c2ccccc2F)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C15H11FN4O/c16-12-9-5-4-8-11(12)13-14(18-17)15(21)20(19-13)10-6-2-1-3-7-10/h1-9,17,19H/b18-17+
InChIKeyUQIMXHVMOYWJFL-ISLYRVAYSA-N
XLogP3.63
TPSA74.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one (CID 139237960) is 4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one is [H]/N=N/c1c(-c2ccccc2F)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one?
The InChIKey is UQIMXHVMOYWJFL-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H11FN4O/c16-12-9-5-4-8-11(12)13-14(18-17)15(21)20(19-13)10-6-2-1-3-7-10/h1-9,17,19H/b18-17+.
What are the key properties of 4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one?
4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one has a molecular weight of 282.28 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazenyl-5-(2-fluorophenyl)-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 139237960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).