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CS-W001157 4
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3-Isopropyl-1h-pyrazole

  • CAS No. 49633-25-2

  • Cat. No. CS-0054479
  • Purity≥96%
  • MDL No.None

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

3-Isopropyl-1h-pyrazole|CS-0054479

Structure of 49633-25-2

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General Information

  • CAS No. 49633-25-2
  • Cat. No. CS-0054479
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀N₂
  • Molecular Weight 110.16
  • Synonym(s) 5-(propan-2-yl)-1H-pyrazole
  • SMILES CC(C)C1=NNC=C1

Description

3-Isopropyl-1H-pyrazole features a sterically hindered pyrazole core with enhanced solubility in organic media. This bench-stable heterocycle serves as a robust scaffold for medicinal chemistry, integrating readily into bioactive molecules via functionalization at the 1- and 3-positions.

Application

3-Isopropyl-1H-pyrazole serves as a versatile heterocyclic building block in medicinal chemistry and process development, offering enhanced solubility and metabolic stability compared to simpler alkyl-substituted analogs. Its pyrazole core facilitates hydrogen bonding and π–stacking interactions in target binding pockets, while the isopropyl group provides steric bulk and improved lipophilicity profile. The compound exhibits excellent bench stability, enabling straightforward handling and purification via standard distillation or column chromatography. It functions effectively in transition-metal-catalyzed coupling reactions and serves as a key scaffold for constructing bioactive molecules across diverse therapeutic areas.

Synthesis

  • Route1
    • (1E)-1-(Dimethylamino)-4-methylpent-1-en-3-one|CS-0205350
      5782-56-9
    • ~92%
    • In-stock
      3-Isopropyl-1h-pyrazole|CS-0054479
      49633-25-2

    References

    • IDENIX PHARMACEUTICALS, INC. Patent: WO2009/14730 A1, 2009 ; Location in patent: Page/Page column 132 ; WO 2009/014730 A1
  • Route2
    • In-stock
      Hydrazine monohydrochloride|CS-W019806
      2644-70-4
    • (E)-1-(Dimethylamino)-4-methylpent-1-en-3-one|CS-0782103
      38664-64-1
    • ~93%
    • In-stock
      3-Isopropyl-1h-pyrazole|CS-0054479
      49633-25-2

    References

    • Idenix Pharmaceuticals, Inc. Patent: US2010/260710 A1, 2010 ;
  • Route3
    • null|null
      563-80-4
    • null|null
      1186-70-5
    • ~57%
    • In-stock
      3-Isopropyl-1h-pyrazole|CS-0054479
      49633-25-2

    References

    • TAKEDA CHEMICAL INDUSTRIES, LTD. Patent: WO2003/99793 A1, 2003 ; Location in patent: Page 272 ;

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   28.68
  • LogP   1.5331
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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