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CS-W001157 4
Total: USD 88.00

1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid

  • CAS No. 139755-99-0

  • Cat. No. CS-0006634
  • Molecule weight168.19
  • Purity≥95%
  • MDL No.MFCD02169703

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

1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid|CS-0006634

Structure of 139755-99-0

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General Information

  • CAS No. 139755-99-0
  • Cat. No. CS-0006634
  • Purity ≥95%
  • MDL No. MFCD02169703
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂N₂O₂
  • Molecular Weight 168.19
  • Synonym(s) 2-Methyl-5-propyl-2H-pyrazole-3-carboxylic acid
  • SMILES O=C(C1=CC(CCC)=NN1C)O

Synthesis

  • Route1

    References

    • AUSPEX PHARMACEUTICALS, INC. Patent: US2008/194529 A1, 2008 ; Location in patent: Page/Page column 56-57 ; US 20080194529 A1
  • Route2
    • In-stock
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    • 1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid|CS-0006634
      139755-99-0
    • 1-Methyl-5-propyl-1h-pyrazole-3-carboxylic acid|CS-0215958
      247583-70-6

    References

    • Journal of Heterocyclic Chemistry, , vol. 38, # 5 p. 1045 - 1050
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 15, # 17 p. 3900 - 3907

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+H312+H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   1.0708
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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