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CS-W001157 4
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3-Methoxy-4-nitro-1H-pyrazole

  • CAS No. 400755-41-1

  • Cat. No. CS-W018818
  • Purity≥97%
  • MDL No.MFCD03419421

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

3-Methoxy-4-nitro-1H-pyrazole|CS-W018818

Structure of 400755-41-1

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General Information

  • CAS No. 400755-41-1
  • Cat. No. CS-W018818
  • Purity ≥97%
  • MDL No. MFCD03419421
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅N₃O₃
  • Molecular Weight 143.10
  • Synonym(s) 3-Methoxy-4-nitropyrazole
  • SMILES O=[N+](C1=CNN=C1OC)[O-]

Description

3-Methoxy-4-nitro-1H-pyrazole is a bench-stable heterocyclic scaffold featuring complementary electron-withdrawing and electron-donating substituents. The para-oriented nitro group enhances electrophilicity at the pyrazole ring, while the methoxy moiety contributes resonance donation, enabling tunable reactivity in cross-coupling and cycloaddition processes. This balanced electronic profile supports efficient integration into complex molecular architectures under standard conditions.

Application

3-Methoxy-4-nitro-1H-pyrazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling the synthesis of bioactive compounds through selective functionalization at the pyrazole core. The methoxy group enhances solubility and modulates electronic properties, while the nitro substituent provides a handle for reductive transformations or nucleophilic displacement. This compound exhibits bench stability and compatibility with standard coupling reactions, facilitating efficient incorporation into complex scaffolds.

Safety Information

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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   81.05
  • LogP   0.3265
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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