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CS-W001157 4
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1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid

  • CAS No. 10250-64-3

  • Cat. No. CS-W000421
  • Purity≥97%
  • MDL No.MFCD08271939

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

1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid|CS-W000421

Structure of 10250-64-3

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General Information

  • CAS No. 10250-64-3
  • Cat. No. CS-W000421
  • Purity ≥97%
  • MDL No. MFCD08271939
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O₂
  • Molecular Weight 202.21
  • Synonym(s) 5-Carboxy-1-methyl-3-phenyl-1H-pyrazole
  • SMILES CN1C(C(O)=O)=CC(C2=CC=CC=C2)=N1

Description

1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid features a conjugated pyrazole core with orthogonal phenyl and carboxylic acid functionalities, enabling integration into bioactive scaffolds. The electron-deficient pyrazole ring enhances reactivity in coupling processes, while the methyl group improves solubility and metabolic stability. This compound serves as a key intermediate for pharmaceuticals and agrochemicals requiring heterocyclic diversity.

Application

1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard coupling and functionalization reactions. Its robust bench stability, combined with orthogonal reactivity of the carboxylic acid and pyrazole core, facilitates efficient derivatization and purification. This compound functions effectively in peptide coupling, amide formation, and transition-metal-catalyzed transformations, supporting scalable route development for API candidates.

Synthesis

  • Route1
    • Methyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate|CS-0444636
      10250-62-1
    • ~94%
    • In-stock
      1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid|CS-W000421
      10250-64-3

    References

    • WO2008/11131 A2, ; Page/Page column 260 ; WO 2008/011131 A2
  • Route2
    • Ethyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate|CS-W000420
      10250-63-2
    • ~%
    • In-stock
      1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid|CS-W000421
      10250-64-3

    References

    • EP1216980 A1, ; EP 1216980 A1
  • Route3

    References

    • Chemische Berichte, , vol. 66, p. 1690,1692

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   1.7853
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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