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    5952-92-1

    Catalog No. EBD43629

    CAS 5952-92-1

    Name 1-Methyl-1H-pyrazole-4-carboxylic acid

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    Basic Information

    Synonyms: 1-Methyl-1H-pyrazole-4-carboxylicacid 1-methylpyrazole-4-carboxylicacid 1-methyl-4-pyrazolecarboxylicacid

    Molecular Formula: C5H6N2O2

    Molecular Weight: 126.11

    MDL Number: MFCD00159641

    Categories: Medicinal Chemistry > Pharmaceutical Intermediates > Heterocyclic Intermediates Synthetic Chemistry > Organic Building Blocks > Carboxylic Acids and Esters

    Product Description:
    1-Methyl-1H-pyrazole-4-carboxylic acid is a heterocyclic carboxylic acid featuring a pyrazole ring substituted with a methyl group at the N1 position and a carboxylic acid group at the C4 position. It is a white to off-white crystalline powder with a molecular formula of C5H6N2O2 and a molecular weight of 126.11 g/mol. This compound serves as a versatile and important building block in medicinal chemistry. Its primary application is as a key intermediate in the synthesis of various pharmaceutical agents. Notably, it is a crucial precursor in the production of Celecoxib, a widely used nonsteroidal anti-inflammatory drug (NSAID) that functions as a selective cyclooxygenase-2 (COX-2) inhibitor. The pyrazole-4-carboxylic acid scaffold is valued for its ability to impart specific binding interactions in drug-target complexes. As a bifunctional molecule containing both a heterocyclic amine (pyrazole) and a carboxylic acid, it is amenable to a range of chemical transformations, such as amide coupling and esterification. This makes it a valuable synthon in organic synthesis for constructing more complex molecules beyond its established role in API manufacturing.
    Physical Properties

    Melting Point: 203-208 °C

    Boiling Point: 306.886 °C at 760 mmHg

    Flash Point: 139.4 °C

    Density: 1.349 g/cm3

    mg g kg ml l t