Home Amines 68538-00-1
68538-00-1,MFCD00138389
Catalog No.:AA00IWU2

68538-00-1 | (4Z)-3-methyl-4-{[(4-nitrophenyl)amino]methylidene}-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

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Technical Information
Catalog Number:
AA00IWU2
Chemical Name:
(4Z)-3-methyl-4-{[(4-nitrophenyl)amino]methylidene}-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
CAS Number:
68538-00-1
Molecular Formula:
C17H14N4O3
Molecular Weight:
322.3181
MDL Number:
MFCD00138389
SMILES:
CC1=NN(C(=O)/C/1=C\Nc1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Computed Properties
 
Complexity:
553  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.2  

Literature
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SDS
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Tags:68538-00-1 Molecular Formula|68538-00-1 MDL|68538-00-1 SMILES|68538-00-1 (4Z)-3-methyl-4-{[(4-nitrophenyl)amino]methylidene}-1-phenyl-4,5-dihydro-1H-pyrazol-5-one