1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-methoxyphenyl)-


Chemical Name: 1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-methoxyphenyl)-
CAS Number: 116884-64-1
Product Number: AG000DD2(AGN-PC-0KKPU7)
Synonyms:
MDL No:
Molecular Formula: C11H10N4O
Molecular Weight: 214.2233

Identification/Properties


Computed Properties
Molecular Weight:
214.228g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
214.085g/mol
Monoisotopic Mass:
214.085g/mol
Topological Polar Surface Area:
76.9A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
279
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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