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Home Nitriles 5-amino-1-(2-methylphenyl)-1H-pyrazole-4-carbonitrile

5-amino-1-(2-methylphenyl)-1H-pyrazole-4-carbonitrile

CAS No.:
142893-46-7
Catalog Number:
AG00JV4Z
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
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Product Description
Catalog Number:
AG00JV4Z
Chemical Name:
5-amino-1-(2-methylphenyl)-1H-pyrazole-4-carbonitrile
CAS Number:
142893-46-7
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
MDL Number:
MFCD00128419
IUPAC Name:
5-amino-1-(2-methylphenyl)pyrazole-4-carbonitrile
InChI:
InChI=1S/C11H10N4/c1-8-4-2-3-5-10(8)15-11(13)9(6-12)7-14-15/h2-5,7H,13H2,1H3
InChI Key:
DASDHYYNSIACSW-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1N)c1ccccc1C
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  
Properties