Home Nitriles 4-(5-amino-1H-pyrazol-1-yl)benzonitrile

4-(5-amino-1H-pyrazol-1-yl)benzonitrile

CAS No.:
1152964-72-1
Catalog Number:
AG01AHWX
Molecular Formula:
C10H8N4
Molecular Weight:
184.1973
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Product Description
Catalog Number:
AG01AHWX
Chemical Name:
4-(5-amino-1H-pyrazol-1-yl)benzonitrile
CAS Number:
1152964-72-1
Molecular Formula:
C10H8N4
Molecular Weight:
184.1973
MDL Number:
MFCD11641451
IUPAC Name:
4-(5-aminopyrazol-1-yl)benzonitrile
InChI:
InChI=1S/C10H8N4/c11-7-8-1-3-9(4-2-8)14-10(12)5-6-13-14/h1-6H,12H2
InChI Key:
IDJXQZRBIMFECC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)n1nccc1N
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.075g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.202g/mol
Monoisotopic Mass:
184.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties