5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid

C16H12N4O3 — CID 88641283

IUPAC5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid
SMILESO=C(O)C1=NN(c2ccccc2)C(=O)C1/N=N/c1ccccc1
InChIInChI=1S/C16H12N4O3/c21-15-13(18-17-11-7-3-1-4-8-11)14(16(22)23)19-20(15)12-9-5-2-6-10-12/h1-10,13H,(H,22,23)/b18-17+
InChIKeyDLIIRTOELUQLPA-ISLYRVAYSA-N
MW308.30 g/mol
LogP2.63
Rot. Bonds4

About 5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid

5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid (PubChem CID 88641283) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid
PubChem CID88641283
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid
SMILESO=C(O)C1=NN(c2ccccc2)C(=O)C1/N=N/c1ccccc1
InChIInChI=1S/C16H12N4O3/c21-15-13(18-17-11-7-3-1-4-8-11)14(16(22)23)19-20(15)12-9-5-2-6-10-12/h1-10,13H,(H,22,23)/b18-17+
InChIKeyDLIIRTOELUQLPA-ISLYRVAYSA-N
XLogP2.63
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide
CID 3020110
alumane;5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
CID 175302839
Acid Yellow 23 Aluminium lake
CID 56843209
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
(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
5-oxo-1-(2-sulfophenyl)-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
CID 3731972
(4R)-5-methyl-4-[(4-methylsulfonylphenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one
CID 98285017
barium(2+);4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate
CID 21124835
ethyl 5-oxo-1-phenyl-4-[[4-(2-prop-2-enoxyethoxycarbonyl)phenyl]diazenyl]-4H-pyrazole-3-carboxylate
CID 3023556

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid (CID 88641283) is 5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid is O=C(O)C1=NN(c2ccccc2)C(=O)C1/N=N/c1ccccc1.
What is the InChIKey of 5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid?
The InChIKey is DLIIRTOELUQLPA-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H12N4O3/c21-15-13(18-17-11-7-3-1-4-8-11)14(16(22)23)19-20(15)12-9-5-2-6-10-12/h1-10,13H,(H,22,23)/b18-17+.
What are the key properties of 5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid?
5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid has a molecular weight of 308.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-4-phenyldiazenyl-4H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 88641283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).