Home Nitriles 3-(3-amino-5-methyl-1H-pyrazol-1-yl)benzonitrile hydrochloride

3-(3-amino-5-methyl-1H-pyrazol-1-yl)benzonitrile hydrochloride

CAS No.:
1797026-71-1
Catalog Number:
AG01AFJ0
Molecular Formula:
C11H11ClN4
Molecular Weight:
234.6848
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Product Description
Catalog Number:
AG01AFJ0
Chemical Name:
3-(3-amino-5-methyl-1H-pyrazol-1-yl)benzonitrile hydrochloride
CAS Number:
1797026-71-1
Molecular Formula:
C11H11ClN4
Molecular Weight:
234.6848
MDL Number:
MFCD27500899
IUPAC Name:
3-(3-amino-5-methylpyrazol-1-yl)benzonitrile;hydrochloride
InChI:
InChI=1S/C11H10N4.ClH/c1-8-5-11(13)14-15(8)10-4-2-3-9(6-10)7-12;/h2-6H,1H3,(H2,13,14);1H
InChI Key:
DOGLKFHRGPJFPB-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)n1nc(cc1C)N.Cl
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.067g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.687g/mol
Monoisotopic Mass:
234.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties