1-(4-Carboxyphenyl)-4-(4-dimethylaminobenzylidene)-3-methyl-2-pyrazolin-5-one

Base Information

• Chemical Name: 1-(4-Carboxyphenyl)-4-(4-dimethylaminobenzylidene)-3-methyl-2-pyrazolin-5-one
• CAS No.: 117573-89-4
• Molecular Formula: C20H19 N3 O3
• Molecular Weight: 349.38
• European Community (EC) Number: 410-430-4
• DSSTox Substance ID: DTXSID901116140
• Mol file: 117573-89-4.mol

Synonyms:SCHEMBL5706389;DTXSID901116140;1-(4-Carboxyphenyl)-4-(4-dimethylaminobenzylidene)-3-methyl-2-pyrazolin-5-one;117573-89-4;4-[4-[[4-(Dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid

Chemical Property of 1-(4-Carboxyphenyl)-4-(4-dimethylaminobenzylidene)-3-methyl-2-pyrazolin-5-one

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 349.14264148
• Heavy Atom Count: 26
• Complexity: 610

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Statements: 53
• Safety Statements: 61

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)C(=O)O