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Ethyl 3-amino-1-phenyl-1H-pyrazole-4-carboxylate

  • CAS No. 16078-63-0

  • Cat. No. CS-0197579
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-amino-1-phenyl-1H-pyrazole-4-carboxylate|CS-0197579

Structure of 16078-63-0

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General Information

  • CAS No. 16078-63-0
  • Cat. No. CS-0197579
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃N₃O₂
  • Molecular Weight 231.25
  • Synonym(s) ethyl 3-amino-1-phenylpyrazole-4-carboxylate
  • SMILES O=C(OCC)C1=CN(N=C1N)C=2C=CC=CC2

Synthesis

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    References

    • Deprez-Poulain, Rebecca; Cousaert, Nicolas; Toto, Patrick; Willand, Nicolas; Deprez, Benoit European Journal of Medicinal Chemistry, 2011 , vol. 46, # 9 p. 3867 - 3876
  • Route2

    References

    • Massa; Mai; Artico; Corelli Journal of Heterocyclic Chemistry, 1990 , vol. 27, # 6 p. 1805 - 1808
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    References

    • Deprez-Poulain, Rebecca; Cousaert, Nicolas; Toto, Patrick; Willand, Nicolas; Deprez, Benoit European Journal of Medicinal Chemistry, 2011 , vol. 46, # 9 p. 3867 - 3876

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   70.14
  • LogP   1.6312
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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