4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one

C17H15N5O2 — CID 172639926

IUPAC4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one
SMILESCC(=O)c1ccc(/N=N/c2c(Nc3ccccc3)[nH][nH]c2=O)cc1
InChIInChI=1S/C17H15N5O2/c1-11(23)12-7-9-14(10-8-12)19-20-15-16(21-22-17(15)24)18-13-5-3-2-4-6-13/h2-10H,1H3,(H3,18,21,22,24)/b20-19+
InChIKeyZQOVUUMPTMXIOR-FMQUCBEESA-N
MW321.34 g/mol
LogP4.06
Rot. Bonds5

About 4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one

4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one (PubChem CID 172639926) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one
PubChem CID172639926
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one
SMILESCC(=O)c1ccc(/N=N/c2c(Nc3ccccc3)[nH][nH]c2=O)cc1
InChIInChI=1S/C17H15N5O2/c1-11(23)12-7-9-14(10-8-12)19-20-15-16(21-22-17(15)24)18-13-5-3-2-4-6-13/h2-10H,1H3,(H3,18,21,22,24)/b20-19+
InChIKeyZQOVUUMPTMXIOR-FMQUCBEESA-N
XLogP4.06
TPSA102.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

ethane;1-(4-phenyldiazenylphenyl)ethanone
CID 165138177
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
5-[(4-acetylphenyl)diazenyl]-6-amino-1H-pyrimidine-2,4-dione
CID 137199513
1-[4-[[4-[[4-(ethylamino)phenyl]diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216733
4-acetamido-N-[4-[(4-acetamidophenyl)diazenyl]phenyl]benzamide
CID 130360401
N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54693736
ethyl 4-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzoate
CID 4078979
[2-[(4-acetylphenyl)diazenyl]phenyl]boronic acid
CID 158699237
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
4-phenyldiazenylbenzoic acid
CID 15276
2-amino-4-anilino-5-[(4-methylphenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile
CID 136694231
5-[(4-benzoylphenyl)diazenyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2863650

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one (CID 172639926) is 4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one is CC(=O)c1ccc(/N=N/c2c(Nc3ccccc3)[nH][nH]c2=O)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one?
The InChIKey is ZQOVUUMPTMXIOR-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N5O2/c1-11(23)12-7-9-14(10-8-12)19-20-15-16(21-22-17(15)24)18-13-5-3-2-4-6-13/h2-10H,1H3,(H3,18,21,22,24)/b20-19+.
What are the key properties of 4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one?
4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one has a molecular weight of 321.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)diazenyl]-5-anilino-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 172639926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).