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CS-W001157 4
Total: USD 88.00

4-Nitro-1h-pyrazol-5-amine

  • CAS No. 16115-82-5

  • Cat. No. CS-0217806
  • Molecule weight128.09
  • Purity≥95%
  • MDL No.None

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

4-Nitro-1h-pyrazol-5-amine|CS-0217806

Structure of 16115-82-5

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General Information

  • CAS No. 16115-82-5
  • Cat. No. CS-0217806
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₄N₄O₂
  • Molecular Weight 128.09
  • Synonym(s) None
  • SMILES NC1=C([N+]([O-])=O)C=NN1

Description

4-Nitro-1H-pyrazol-5-amine features a strategically positioned nitro group at the 4-position and an amino functionality at the 5-position, enabling direct incorporation into heterocyclic scaffolds. This electron-deficient pyrazole integrates readily in medicinal chemistry applications, offering enhanced reactivity for C–N bond formation under standard conditions.

Application

4-Nitro-1H-pyrazol-5-amine serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its dual functionality—nitro group for reduction and pyrazole nitrogen for derivatization—supports diverse scaffold elaboration. Bench-stable and readily purified, it facilitates efficient synthesis of targeted compounds in drug discovery workflows.

Synthesis

  • Route1

    References

    • Shevelev, S. A.; Vinogradov, V. M.; Dalinger, I. L.; Cherkasova, T. I. Russian Chemical Bulletin, 1993 , vol. 42, # 11 p. 1861 - 1864 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1993 , # 11 p. 1945 - 1948

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   97.84
  • LogP   -0.0999
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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