2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one

C27H20N6O — CID 3109349

IUPAC2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
SMILESO=c1c(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c(-c2ccccc2)[nH]n1-c1ccccc1
InChIInChI=1S/C27H20N6O/c34-27-26(25(20-10-4-1-5-11-20)32-33(27)24-14-8-3-9-15-24)31-30-23-18-16-22(17-19-23)29-28-21-12-6-2-7-13-21/h1-19,32H/b29-28+,31-30+
InChIKeyGJGIWJRUVWQNAG-DUJDKOHPSA-N
MW444.50 g/mol
LogP7.66
Rot. Bonds6

About 2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one

2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one (PubChem CID 3109349) has the molecular formula C27H20N6O and a molecular weight of 444.50 g/mol. Its IUPAC name is 2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
PubChem CID3109349
Molecular FormulaC27H20N6O
Molecular Weight444.50 g/mol
Exact Mass444.17
IUPAC Name2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
SMILESO=c1c(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c(-c2ccccc2)[nH]n1-c1ccccc1
InChIInChI=1S/C27H20N6O/c34-27-26(25(20-10-4-1-5-11-20)32-33(27)24-14-8-3-9-15-24)31-30-23-18-16-22(17-19-23)29-28-21-12-6-2-7-13-21/h1-19,32H/b29-28+,31-30+
InChIKeyGJGIWJRUVWQNAG-DUJDKOHPSA-N
XLogP7.66
TPSA87.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.50
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 3109320
2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one
CID 3109396
4-[[2-(4-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]diazenyl]benzoic acid
CID 163347408
ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)diazenyl]benzoate
CID 3109345
4-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 3359212
4-nitroso-5-[4-(4-nitroso-3-oxo-2-phenyl-1H-pyrazol-5-yl)phenyl]-2-phenyl-1H-pyrazol-3-one
CID 139222390
4-[(2-methoxyphenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 5238721
4-[[5-(4-nitrophenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzamide
CID 3109388
5-amino-4-[(4-fluorophenyl)diazenyl]-2-phenyl-1H-pyrazol-3-one
CID 1494865
3-[[5-(4-methoxyphenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzoic acid
CID 135645862
4-[(4-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 811786
[5-(4-aminophenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]-(4-phenyldiazenylphenyl)iminoazanium
CID 168936430

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one?
The IUPAC name of 2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one (CID 3109349) is 2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one.
What is the SMILES notation for 2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one?
The canonical SMILES for 2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one is O=c1c(/N=N/c2ccc(/N=N/c3ccccc3)cc2)c(-c2ccccc2)[nH]n1-c1ccccc1.
What is the InChIKey of 2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one?
The InChIKey is GJGIWJRUVWQNAG-DUJDKOHPSA-N. The full InChI is InChI=1S/C27H20N6O/c34-27-26(25(20-10-4-1-5-11-20)32-33(27)24-14-8-3-9-15-24)31-30-23-18-16-22(17-19-23)29-28-21-12-6-2-7-13-21/h1-19,32H/b29-28+,31-30+.
What are the key properties of 2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one?
2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one has a molecular weight of 444.50 g/mol, XLogP of 7.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 3109349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).