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CS-W001157 4
Total: USD 88.00

1-Methyl-5-pyrazolecarboxylic acid

  • CAS No. 16034-46-1

  • Cat. No. CS-D1713
  • Purity≥98%
  • MDL No.MFCD00464253

*For research and further manufacturing use only, not for direct human use.

1-Methyl-5-pyrazolecarboxylic acid|CS-D1713

Structure of 16034-46-1

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General Information

  • CAS No. 16034-46-1
  • Cat. No. CS-D1713
  • Purity ≥98%
  • MDL No. MFCD00464253
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆N₂O₂
  • Molecular Weight 126.11
  • Synonym(s) None
  • SMILES O=C(C1=CC=NN1C)O

Description

1-Methyl-5-pyrazolecarboxylic acid is a bench-stable, moisture-tolerant heterocyclic carboxylic acid featuring a methyl-substituted pyrazole core. This electron-deficient scaffold integrates readily into synthetic sequences requiring polar, nitrogen-rich functionalities. The carboxyl group enables direct coupling reactions or derivatization under standard conditions.

Application

1-Methyl-5-pyrazolecarboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into bioactive heterocycles. Its pyrazole core exhibits favorable metabolic stability and hydrogen-bonding capacity, while the carboxylic acid functionality facilitates amide coupling, esterification, and salt formation under standard conditions. The methyl group enhances solubility and modulates electronic properties, supporting efficient synthesis of target molecules with predictable reactivity.

Synthesis

  • Route1
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    • ~44%
    • In-stock
      1-Methyl-5-pyrazolecarboxylic acid|CS-D1713
      16034-46-1

    References

    • Galapagos NV Patent: WO2009/71706 A1, 2009 ; Location in patent: Page/Page column 48 ; WO 2009/071706 A1
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    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 52, # 11 p. 2592 - 2598,2291 - 2296
  • Route3
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      930-36-9
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      201230-82-2
    • ~27%
    • In-stock
      1-Methyl-5-pyrazolecarboxylic acid|CS-D1713
      16034-46-1

    References

    • Takeda Pharmaceutical Company Limited Patent: EP2530078 A1, 2012 ; Location in patent: Page/Page column 64 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   0.1183
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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