Home Nitriles 5-amino-4-methyl-1-phenyl-1H-pyrazole-3-carbonitrile

5-amino-4-methyl-1-phenyl-1H-pyrazole-3-carbonitrile

CAS No.:
1414570-18-5
Catalog Number:
AG01AL92
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
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Product Description
Catalog Number:
AG01AL92
Chemical Name:
5-amino-4-methyl-1-phenyl-1H-pyrazole-3-carbonitrile
CAS Number:
1414570-18-5
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
MDL Number:
MFCD28968184
IUPAC Name:
5-amino-4-methyl-1-phenylpyrazole-3-carbonitrile
InChI:
InChI=1S/C11H10N4/c1-8-10(7-12)14-15(11(8)13)9-5-3-2-4-6-9/h2-6H,13H2,1H3
InChI Key:
MFYSVJXHJBSJPT-UHFFFAOYSA-N
SMILES:
N#Cc1nn(c(c1C)N)c1ccccc1
Properties
Complexity:
263  
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  
Properties