1H-Pyrazole-3-carboxylic acid, 5-amino-1-methyl-, methyl ester


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 5-amino-1-methyl-, methyl ester
CAS Number: 92406-53-6
Product Number: AG00H0Z9(AGN-PC-00M2F9)
Synonyms:
MDL No:
Molecular Formula: C6H9N3O2
Molecular Weight: 155.1546

Identification/Properties


Computed Properties
Molecular Weight:
155.157g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
155.069g/mol
Monoisotopic Mass:
155.069g/mol
Topological Polar Surface Area:
70.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
162
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

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NMR Spectrum


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