1-O-tert-butyl 3-O-methyl 4-aminopyrazole-1,3-dicarboxylate


Chemical Name: 1-O-tert-butyl 3-O-methyl 4-aminopyrazole-1,3-dicarboxylate
CAS Number: 923283-63-0
Product Number: AG00IH3Q(AGN-PC-0HVOZL)
Synonyms:
MDL No:
Molecular Formula: C10H15N3O4
Molecular Weight: 241.2438

Identification/Properties


Computed Properties
Molecular Weight:
241.247g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
241.106g/mol
Monoisotopic Mass:
241.106g/mol
Topological Polar Surface Area:
96.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
313
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



1-tert-Butyl 3-methyl 4-amino-1H-pyrazole-1,3-dicarboxylate is a versatile compound commonly used in chemical synthesis, particularly in the field of medicinal chemistry. This compound serves as a valuable building block in the synthesis of various pharmaceuticals and bioactive molecules. Its unique structure and reactivity make it a key intermediate in the creation of novel compounds with potential therapeutic applications. Due to its ability to undergo various transformations, 1-tert-Butyl 3-methyl 4-amino-1H-pyrazole-1,3-dicarboxylate plays a crucial role in the development of new drugs and biologically active compounds.