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CS-W001157 4
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4-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3-amine

  • CAS No. 214416-39-4

  • Cat. No. CS-0073185
  • Molecule weight207.66
  • Purity≥97%
  • MDL No.MFCD00737209

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

4-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3-amine|CS-0073185

Structure of 214416-39-4

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General Information

  • CAS No. 214416-39-4
  • Cat. No. CS-0073185
  • Purity ≥97%
  • MDL No. MFCD00737209
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀ClN₃
  • Molecular Weight 207.66
  • Synonym(s) 4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
  • SMILES NC1=C(C2=CC=C(Cl)C=C2)C(C)=NN1

Synthesis

  • Route1
    • 2-(4-Chlorophenyl)-3-oxobutanenitrile|CS-0213148
      5219-07-8
    • ~88%
    • 4-(4-Chlorophenyl)-5-methyl-1H-pyrazol-3-amine|CS-0073185
      214416-39-4

    References

    • BIOENERGENIX Patent: US2012/277224 A1, 2012 ; Location in patent: Page/Page column 52 ; US 20120277224 A1
  • Route2

    References

    • Gilligan, Paul J.; Baldauf, Caryn; Cocuzza, Anthony; Chidester, Dennis; Zaczek, Robert; Fitzgerald, Lawrence W.; McElroy, John; Smith, Mark A.; Shen; Saye, Jo Anne; Christ, David; Trainor, George; Robertson, David W.; Hartig, Paul Bioorganic and Medicinal Chemistry, 2000 , vol. 8, # 1 p. 181 - 189

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   54.7
  • LogP   2.62072
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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