2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one

C21H15N5O3 — CID 3109396

IUPAC2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one
SMILESO=c1c(/N=N/c2ccccc2)c(-c2ccccc2)[nH]n1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H15N5O3/c27-21-20(23-22-16-9-5-2-6-10-16)19(15-7-3-1-4-8-15)24-25(21)17-11-13-18(14-12-17)26(28)29/h1-14,24H/b23-22+
InChIKeyBPERPJLBWVUAMW-GHVJWSGMSA-N
MW385.38 g/mol
LogP5.16
Rot. Bonds5

About 2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one

2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one (PubChem CID 3109396) has the molecular formula C21H15N5O3 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one
PubChem CID3109396
Molecular FormulaC21H15N5O3
Molecular Weight385.38 g/mol
Exact Mass385.12
IUPAC Name2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one
SMILESO=c1c(/N=N/c2ccccc2)c(-c2ccccc2)[nH]n1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C21H15N5O3/c27-21-20(23-22-16-9-5-2-6-10-16)19(15-7-3-1-4-8-15)24-25(21)17-11-13-18(14-12-17)26(28)29/h1-14,24H/b23-22+
InChIKeyBPERPJLBWVUAMW-GHVJWSGMSA-N
XLogP5.16
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.38
LogP ≤ 55.16
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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chlorophenyl)diazenyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one
CID 3658316
2,5-diphenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazol-3-one
CID 3109349
4-[[5-(4-nitrophenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzamide
CID 3109388
4-[(2-bromophenyl)diazenyl]-5-(4-nitrophenyl)-2-phenyl-1H-pyrazol-3-one
CID 3454304
4-[(4-chlorophenyl)diazenyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 3109320
4-(1-benzothiophen-2-yldiazenyl)-5-(4-nitrophenyl)-2-phenyl-1H-pyrazol-3-one
CID 3306096
4-[(2-benzoyl-4-chlorophenyl)diazenyl]-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one
CID 3109422
4-[[2-(4-methylphenyl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]diazenyl]benzoic acid
CID 163347408
4-[(3-methoxyphenyl)diazenyl]-5-(4-nitrophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 3884254
4-[[5-methyl-2-(4-nitrophenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]benzonitrile
CID 3109451
4-(2-hydroxyethyliminomethyl)-2-(4-nitrophenyl)-5-phenyl-1H-pyrazol-3-one
CID 4873257
(4-nitrophenyl)-phenyldiazene
CID 17222

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The IUPAC name of 2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one (CID 3109396) is 2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one is O=c1c(/N=N/c2ccccc2)c(-c2ccccc2)[nH]n1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one?
The InChIKey is BPERPJLBWVUAMW-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H15N5O3/c27-21-20(23-22-16-9-5-2-6-10-16)19(15-7-3-1-4-8-15)24-25(21)17-11-13-18(14-12-17)26(28)29/h1-14,24H/b23-22+.
What are the key properties of 2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one?
2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one has a molecular weight of 385.38 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-5-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one is sourced from PubChem (CID 3109396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).