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5-Methyl-3-nitro-1H-pyrazole

  • CAS No. 1048925-02-5

  • Cat. No. CS-0058686
  • Purity≥98%
  • MDL No.MFCD00463977

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

5-Methyl-3-nitro-1H-pyrazole|CS-0058686

Structure of 1048925-02-5

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General Information

  • CAS No. 1048925-02-5
  • Cat. No. CS-0058686
  • Purity ≥98%
  • MDL No. MFCD00463977
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅N₃O₂
  • Molecular Weight 127.10
  • Synonym(s) 3-methyl-5-nitropyrazole
  • SMILES O=[N+](C1=NNC(C)=C1)[O-]

Description

5-Methyl-3-nitro-1H-pyrazole features a fused heterocyclic core with complementary electron-deficient and alkyl substituents, enabling selective reactivity in cross-coupling and C–H functionalization. The para-nitro group enhances electrophilicity at the 3-position, while the methyl moiety provides steric and electronic modulation. This scaffold delivers robust performance under standard bench conditions.

Application

5-Methyl-3-nitro-1H-pyrazole serves as a versatile heterocyclic building block in medicinal chemistry and agrochemical synthesis. The nitro group at C3 enables facile reduction to an amine, while the methyl substituent at C5 provides a handle for further functionalization. Its stability under standard reaction conditions and compatibility with diverse coupling and cyclization protocols make it a practical scaffold for constructing complex nitrogen-containing architectures.

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   71.82
  • LogP   0.62632
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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