1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-pyridinyl)-


Chemical Name: 1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-pyridinyl)-
CAS Number: 72816-14-9
Product Number: AG00FGJ8(AGN-PC-0NJZH4)
Synonyms:
MDL No:
Molecular Formula: C9H7N5
Molecular Weight: 185.1854

Identification/Properties


Computed Properties
Molecular Weight:
185.19g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
185.07g/mol
Monoisotopic Mass:
185.07g/mol
Topological Polar Surface Area:
80.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
245
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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