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CS-W001157 4
Total: USD 88.00

NSC 19055

  • CAS No. 5453-07-6

  • Cat. No. CS-0033797
  • Molecule weight122.13
  • Purity≥98%
  • MDL No.MFCD02020550

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

NSC 19055|CS-0033797

Structure of 5453-07-6

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General Information

  • CAS No. 5453-07-6
  • Cat. No. CS-0033797
  • Purity ≥98%
  • MDL No. MFCD02020550
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆N₄
  • Molecular Weight 122.13
  • Synonym(s) None
  • SMILES N#CC1=C(C)NN=C1N

Description

5-Amino-3-methyl-1H-pyrazole-4-carbonitrile features a conjugated pyrazole core with complementary amino and nitrile functionalities, enabling integration into heterocyclic scaffolds. The methyl group enhances solubility and steric profile, while the electron-withdrawing nitrile supports synthetic versatility in transition metal-catalyzed couplings and bioconjugation workflows under standard conditions.

Application

5-Amino-3-methyl-1H-pyrazole-4-carbonitrile serves as a versatile heterocyclic building block for medicinal chemistry and agrochemical synthesis. Its amino and nitrile groups enable diverse functionalization via amidation, cyclization, and coupling reactions, while the methyl substituent enhances metabolic stability. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative library synthesis and process-scale applications.

Synthesis

  • Route1

    References

    • Heald, Robert; Price, Stephen; Safina, Brian; Savy, Pascal Pierre Alexandre; Seward, Eileen Mary; Sutherlin, Daniel P.; Waszkowycz, Bohdan Patent: US2012/202785 A1, 2012 ; Location in patent: Page/Page column 259 ;
  • Route2
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      1202180-98-0
    • ~91%
    • In-stock
      NSC 19055|CS-0033797
      5453-07-6

    References

    • Gao, Yaojun; Lam, Yulin Journal of Combinatorial Chemistry, 2010 , vol. 12, # 1 p. 69 - 74

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

Quality Control

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Computational Chemistry Data

  • TPSA   78.49
  • LogP   0.172
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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