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CS-W001157 4
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Ethyl 5-(3-nitrophenyl)-1H-pyrazole-3-carboxylate

  • CAS No. 1025724-57-5

  • Cat. No. CS-0122765
  • Molecule weight261.23
  • Purity≥98%
  • MDL No.MFCD03787571

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

Ethyl 5-(3-nitrophenyl)-1H-pyrazole-3-carboxylate|CS-0122765

Structure of 1025724-57-5

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General Information

  • CAS No. 1025724-57-5
  • Cat. No. CS-0122765
  • Purity ≥98%
  • MDL No. MFCD03787571
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁N₃O₄
  • Molecular Weight 261.23
  • Synonym(s) ethyl 3-(3-nitrophenyl)-1H-pyrazole-5-carboxylate
  • SMILES O=C(C1=NNC(C2=CC=CC([N+]([O-])=O)=C2)=C1)OCC

Synthesis

  • Route1
    • Ethyl 4-(3-nitrophenyl)-2,4-dioxobutanoate|CS-0122072
      57961-49-6
    • ~96%
    • Ethyl 5-(3-nitrophenyl)-1H-pyrazole-3-carboxylate|CS-0122765
      1025724-57-5

    References

    • Nagarapu, Lingaiah; Gaikwad, Hanmant K.; Sarikonda, Kartheeka; Mateti, Jhansi; Bantu, Rajashaker; Raghu; Manda, Krishna Madhuri; Kalvendi, Shasi Vardhan European Journal of Medicinal Chemistry, 2010 , vol. 45, # 11 p. 4720 - 4725
  • Route2

    References

    • Nagarapu, Lingaiah; Mateti, Jhansi; Gaikwad, Hanmant K.; Bantu, Rajashaker; Sheeba Rani; Prameela Subhashini Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 14 p. 4138 - 4140

Safety Information

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Computational Chemistry Data

  • TPSA   98.12
  • LogP   2.1616
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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