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84753-01-5 | 1H-Pyrazole-3-carboxamide,4,5-dihydro-5-oxo-1-phenyl-4-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-
CAS No: 84753-01-5 Catalog No: AG004YAN MDL No:
Product Description
Catalog Number:
AG004YAN
Chemical Name:
1H-Pyrazole-3-carboxamide,4,5-dihydro-5-oxo-1-phenyl-4-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-
CAS Number:
84753-01-5
Molecular Formula:
C22H17N7O2
Molecular Weight:
411.4161
IUPAC Name:
5-oxo-1-phenyl-4-[(4-phenyldiazenylphenyl)diazenyl]-4H-pyrazole-3-carboxamide
InChI:
InChI=1S/C22H17N7O2/c23-21(30)19-20(22(31)29(28-19)18-9-5-2-6-10-18)27-26-17-13-11-16(12-14-17)25-24-15-7-3-1-4-8-15/h1-14,20H,(H2,23,30)
InChI Key:
JPOGZXYYWANLQL-UHFFFAOYSA-N
SMILES:
NC(=O)C1=NN(C(=O)C1N=Nc1ccc(cc1)N=Nc1ccccc1)c1ccccc1
EC Number:
283-847-0
Properties
Complexity:
730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.144g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.425g/mol
Monoisotopic Mass:
411.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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