Home Nitriles 4-((4-amino-1H-pyrazol-1-yl)methyl)benzonitrile

4-((4-amino-1H-pyrazol-1-yl)methyl)benzonitrile

CAS No.:
1152940-14-1
Catalog Number:
AG01BRJ6
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
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Product Description
Catalog Number:
AG01BRJ6
Chemical Name:
4-((4-amino-1H-pyrazol-1-yl)methyl)benzonitrile
CAS Number:
1152940-14-1
Molecular Formula:
C11H10N4
Molecular Weight:
198.2239
MDL Number:
MFCD11128212
IUPAC Name:
4-[(4-aminopyrazol-1-yl)methyl]benzonitrile
InChI:
InChI=1S/C11H10N4/c12-5-9-1-3-10(4-2-9)7-15-8-11(13)6-14-15/h1-4,6,8H,7,13H2
InChI Key:
VKSUJZUFXCILKH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Cn1ncc(c1)N
Properties
Complexity:
249  
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:
2  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties