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CS-W001157 4
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5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde

  • CAS No. 890652-02-5

  • Cat. No. CS-0067978
  • Molecule weight152.19
  • Purity≥98%
  • MDL No.MFCD02855988

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

5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde|CS-0067978

Structure of 890652-02-5

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General Information

  • CAS No. 890652-02-5
  • Cat. No. CS-0067978
  • Purity ≥98%
  • MDL No. MFCD02855988
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂N₂O
  • Molecular Weight 152.19
  • Synonym(s) 1H-pyrazole-4-carboxaldehyde, 5-methyl-1-propyl-
  • SMILES O=CC1=C(C)N(CCC)N=C1

Description

5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde features a pyrazole core functionalized with a methyl group at C5 and a propyl chain at N1, delivering enhanced lipophilicity and metabolic stability. The aldehyde at C4 enables direct coupling in multistep syntheses, serving as a key scaffold for bioactive heterocycles. This bench-stable reagent integrates readily into medicinal chemistry campaigns requiring tailored heteroaromatic platforms.

Application

5-Methyl-1-propyl-1H-pyrazole-4-carbaldehyde serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrazole-based scaffolds through standard carbonyl transformations. Its aldehyde functionality facilitates reductive amination, Wittig reactions, and condensation with hydrazines or amines under mild conditions. The methyl and propyl substituents provide steric and electronic modulation, enhancing stability and solubility for bench-scale applications. This compound functions effectively in medicinal chemistry campaigns requiring functionalized pyrazoles with improved metabolic profiles.

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 : P233-P260-P261-P264-P271-P280-P302+P352-P304+P340-P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   1.41402
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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