1H-Pyrazole-3-carboxamide


Chemical Name: 1H-Pyrazole-3-carboxamide
CAS Number: 33064-36-7
Product Number: AG00C739(AGN-PC-0O8ZGV)
Synonyms:
MDL No:
Molecular Formula: C4H5N3O
Molecular Weight: 111.1020

Identification/Properties


Computed Properties
Molecular Weight:
111.104g/mol
XLogP3:
-0.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
111.043g/mol
Monoisotopic Mass:
111.043g/mol
Topological Polar Surface Area:
71.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
104
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-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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