1H-Pyrazole-4-carbonitrile, 3-amino-5-methyl-


Chemical Name: 1H-Pyrazole-4-carbonitrile, 3-amino-5-methyl-
CAS Number: 5453-07-6
Product Number: AG00DACP(AGN-PC-0JO6SW)
Synonyms:
MDL No:
Molecular Formula: C5H6N4
Molecular Weight: 122.1279

Identification/Properties


Computed Properties
Molecular Weight:
122.131g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
122.059g/mol
Monoisotopic Mass:
122.059g/mol
Topological Polar Surface Area:
78.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
146
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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