5-amino-3-methylsulfanyl-1H-pyrazole-4-carboxamide


Chemical Name: 5-amino-3-methylsulfanyl-1H-pyrazole-4-carboxamide
CAS Number: 90914-35-5
Product Number: AG003MDN(AGN-PC-0JMDH6)
Synonyms:
MDL No: MFCD01108205
Molecular Formula: C5H8N4OS
Molecular Weight: 172.2082

Identification/Properties


Computed Properties
Molecular Weight:
172.206g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
172.042g/mol
Monoisotopic Mass:
172.042g/mol
Topological Polar Surface Area:
123A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
165
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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Chemical Structure



5-Amino-3-(methylthio)-4-pyrazolecarboxamide is a versatile chemical compound commonly used in the field of chemical synthesis. Due to its unique structure and properties, this compound is valued for its ability to serve as a building block in the creation of various organic molecules and pharmaceutical compounds. In chemical synthesis, 5-Amino-3-(methylthio)-4-pyrazolecarboxamide can act as a key reagent in the formation of heterocyclic structures, making it a valuable tool for the construction of complex molecular frameworks. Additionally, this compound can be used to introduce specific functional groups or motifs into target molecules, allowing for precise manipulation of chemical structures during synthesis processes. Its ability to participate in diverse chemical reactions and its compatibility with a range of synthetic methodologies make 5-Amino-3-(methylthio)-4-pyrazolecarboxamide a valuable asset in the arsenal of synthetic chemists seeking to create novel compounds for various applications.