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Home Nitriles 1H-Pyrazole-4-carbonitrile, 5-amino-1-(3-methylphenyl)-

1H-Pyrazole-4-carbonitrile, 5-amino-1-(3-methylphenyl)-

CAS No.:
175135-59-8
Catalog Number:
AG00207L
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
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Product Description
Catalog Number:
AG00207L
Chemical Name:
1H-Pyrazole-4-carbonitrile, 5-amino-1-(3-methylphenyl)-
CAS Number:
175135-59-8
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
MDL Number:
MFCD00052969
IUPAC Name:
5-amino-1-(3-methylphenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C11H10N4/c1-8-3-2-4-10(5-8)15-11(13)9(6-12)7-14-15/h2-5,7H,13H2,1H3
InChI Key:
VLJAYJZISRDURH-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)c1cccc(c1)C
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.091g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.229g/mol
Monoisotopic Mass:
198.091g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties