Home Nitriles 1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-aminophenyl)-

1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-aminophenyl)-

CAS No.:
1135324-00-3
Catalog Number:
AG0008WT
Molecular Formula:
C10H9N5
Molecular Weight:
199.2120
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Product Description
Catalog Number:
AG0008WT
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-aminophenyl)-
CAS Number:
1135324-00-3
Molecular Formula:
C10H9N5
Molecular Weight:
199.2120
MDL Number:
MFCD10686726
IUPAC Name:
5-amino-1-(4-aminophenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C10H9N5/c11-5-7-6-14-15(10(7)13)9-3-1-8(12)2-4-9/h1-4,6H,12-13H2
InChI Key:
YXXUVSBXKHJNKU-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)c1ccc(cc1)N
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.086g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.217g/mol
Monoisotopic Mass:
199.086g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties