5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide

C22H17N7O2 — CID 3020110

IUPAC5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide
SMILESNC(=O)C1=NN(c2ccccc2)C(=O)C1/N=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H17N7O2/c23-21(30)19-20(22(31)29(28-19)18-9-5-2-6-10-18)27-26-17-13-11-16(12-14-17)25-24-15-7-3-1-4-8-15/h1-14,20H,(H2,23,30)/b25-24+,27-26+
InChIKeyJPOGZXYYWANLQL-JQRDNDPDSA-N
MW411.43 g/mol
LogP4.44
Rot. Bonds6

About 5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide

5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide (PubChem CID 3020110) has the molecular formula C22H17N7O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is 5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide
PubChem CID3020110
Molecular FormulaC22H17N7O2
Molecular Weight411.43 g/mol
Exact Mass411.14
IUPAC Name5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide
SMILESNC(=O)C1=NN(c2ccccc2)C(=O)C1/N=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C22H17N7O2/c23-21(30)19-20(22(31)29(28-19)18-9-5-2-6-10-18)27-26-17-13-11-16(12-14-17)25-24-15-7-3-1-4-8-15/h1-14,20H,(H2,23,30)/b25-24+,27-26+
InChIKeyJPOGZXYYWANLQL-JQRDNDPDSA-N
XLogP4.44
TPSA125.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'het_5_A(7)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid
CID 88641283
Acid Yellow 23 Aluminium lake
CID 56843209
alumane;5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
CID 175302839
N-[4-[[(4R)-3-acetamido-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]phenyl]acetamide
CID 98215311
(4S)-4-[(4-chlorophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 98219390
N-[4-[(4-chlorophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 3810371
ethyl 5-oxo-4-[[4-(oxolan-2-ylmethoxycarbonyl)phenyl]diazenyl]-1-phenyl-4H-pyrazole-3-carboxylate
CID 3018798
ethyl 5-oxo-1-phenyl-4-[[4-(2-prop-2-enoxyethoxycarbonyl)phenyl]diazenyl]-4H-pyrazole-3-carboxylate
CID 3023556
(4R)-5-methyl-4-[(4-methylsulfonylphenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one
CID 98285017
ethyl (4S)-4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate
CID 98097952
(4S)-5-methyl-4-[(3-methylphenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one
CID 98295031
N-[4-[(3-methylphenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide
CID 3850753

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide (CID 3020110) is 5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide is NC(=O)C1=NN(c2ccccc2)C(=O)C1/N=N/c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide?
The InChIKey is JPOGZXYYWANLQL-JQRDNDPDSA-N. The full InChI is InChI=1S/C22H17N7O2/c23-21(30)19-20(22(31)29(28-19)18-9-5-2-6-10-18)27-26-17-13-11-16(12-14-17)25-24-15-7-3-1-4-8-15/h1-14,20H,(H2,23,30)/b25-24+,27-26+.
What are the key properties of 5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide?
5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide is sourced from PubChem (CID 3020110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).