1H-Pyrazole-3-carboxylic acid, 4-amino-


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 4-amino-
CAS Number: 116008-52-7
Product Number: AG000BCW(AGN-PC-0NYWH9)
Synonyms:
MDL No:
Molecular Formula: C4H5N3O2
Molecular Weight: 127.1014

Identification/Properties


Computed Properties
Molecular Weight:
127.103g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
127.038g/mol
Monoisotopic Mass:
127.038g/mol
Topological Polar Surface Area:
92A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
127
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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Chemical Structure



4-Amino-1H-pyrazole-3-carboxylic acid is a versatile compound widely utilized in organic synthesis due to its unique chemical properties. In chemical synthesis, this compound serves as a crucial building block for the formation of various heterocyclic compounds and pharmaceutical intermediates. Its reactivity enables the introduction of functional groups and structural complexity into organic molecules, making it a valuable tool for the creation of novel chemical entities. Additionally, 4-Amino-1H-pyrazole-3-carboxylic acid plays a vital role in the development of new materials and bioactive molecules, highlighting its significance in the field of chemistry.