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CS-W001157 4
Total: USD 88.00

3,4-Dimethyl-1H-pyrazole

  • CAS No. 2820-37-3

  • Cat. No. CS-W005197
  • Purity≥95%
  • MDL No.MFCD00462154

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

3,4-Dimethyl-1H-pyrazole|CS-W005197

Structure of 2820-37-3

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General Information

  • CAS No. 2820-37-3
  • Cat. No. CS-W005197
  • Purity ≥95%
  • MDL No. MFCD00462154
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈N₂
  • Molecular Weight 96.13
  • Synonym(s) 3,4-Dimethylpyrazole
  • SMILES CC1=CNN=C1C

Description

3,4-Dimethyl-1H-pyrazole is a bench-stable, electron-rich heterocycle featuring two methyl groups at the 3 and 4 positions, enhancing its lipophilicity and metabolic stability. This structural motif enables efficient integration into bioactive scaffolds, particularly in medicinal chemistry applications requiring moderate polarity and enhanced membrane permeability.

Application

3,4-Dimethyl-1H-pyrazole serves as a versatile heterocyclic building block in medicinal chemistry and agrochemical synthesis. Its stability under standard reaction conditions enables reliable incorporation into complex molecules. The methyl substituents enhance lipophilicity and metabolic stability, while the pyrazole core facilitates hydrogen bonding and π–stacking interactions. This compound functions effectively as a bioisostere for phenyl rings or amides, enabling improved solubility and target engagement in lead optimization campaigns.

Synthesis

  • Route1
    • null|null
      563-80-4
    • ~%
    • In-stock
      3,4-Dimethyl-1H-pyrazole|CS-W005197
      2820-37-3

    References

    • BASF Aktiengesellschaft Patent: US6229022 B1, 2001 ;
  • Route2
    • trans-2-Methyl-2-butenal|CS-0782255
      497-03-0
    • ~%
    • In-stock
      3,4-Dimethyl-1H-pyrazole|CS-W005197
      2820-37-3

    References

    • Closs,G.L. et al. Journal of the American Chemical Society, 1963 , vol. 85, p. 3796 - 3800
  • Route3
    • null|null
      126134-41-6
    • ~31%
    • In-stock
      3,4-Dimethyl-1H-pyrazole|CS-W005197
      2820-37-3
    • null|null
      126134-43-8

    References

    • Ram, Vishnu J.; Kushwaha, Dinesh S. Liebigs Annalen der Chemie, 1990 , # 7 p. 697 - 699

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318-H412
Precautionary Statements : P264-P270-P273-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   1.02654
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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