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5-Amino-1-(4-fluorophenyl)-3-methyl-1h-pyrazole-4-carbonitrile

  • CAS No. 51516-82-6

  • Cat. No. CS-0514618
  • Molecule weight216.21
  • Purity≥98%
  • MDL No.MFCD08459267

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

5-Amino-1-(4-fluorophenyl)-3-methyl-1h-pyrazole-4-carbonitrile|CS-0514618

Structure of 51516-82-6

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General Information

  • CAS No. 51516-82-6
  • Cat. No. CS-0514618
  • Purity ≥98%
  • MDL No. MFCD08459267
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉FN₄
  • Molecular Weight 216.21
  • Synonym(s) 5-Amino-4-cyano-1-(4-fluorophenyl)-3-methylpyrazole
  • SMILES N#CC1=C(N)N(C2=CC=C(F)C=C2)N=C1C

Synthesis

  • Route1

    References

    • Faria, Jessica V.; Dos Santos, Mauricio S.; Bernardino, Alice M.R.; Becker, Klaus M.; Machado, Gerzia M.C.; Rodrigues, Raquel F.; Canto-Cavalheiro, Marilene M.; Leon, Leonor L. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 23 p. 6310 - 6312

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   67.63
  • LogP   1.7737
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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