(4E)-4-(2,5-dimethoxybenzylidene)-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

Base Information

• Chemical Name: (4E)-4-(2,5-dimethoxybenzylidene)-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
• CAS No.: 5851-74-1
• Molecular Formula: C24H19N3O5
• Molecular Weight: 429.4248
• DSSTox Substance ID: DTXSID20416669
• Wikidata: Q82226106

Synonyms:5851-74-1;AC1NSO61;DTXSID20416669;SMSF0008520;STL426827;AKOS025261116;CB00112;(4E)-4-(2,5-dimethoxybenzylidene)-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

Chemical Property of (4E)-4-(2,5-dimethoxybenzylidene)-2-(4-nitrophenyl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one

Chemical Property:

• Vapor Pressure: 1.39E-15mmHg at 25°C
• Boiling Point: 625.9°Cat760mmHg
• Flash Point: 332.3°C
• Density: 1.28g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 429.13247072
• Heavy Atom Count: 32
• Complexity: 747

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)OC)C=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
• Isomeric SMILES: COC1=CC(=C(C=C1)OC)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

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