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CS-W001157 4
Total: USD 88.00

(1-Methyl-1H-pyrazol-3-yl)methanamine

  • CAS No. 612511-81-6

  • Cat. No. CS-0053896
  • Purity≥97%
  • MDL No.MFCD03419807

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

(1-Methyl-1H-pyrazol-3-yl)methanamine|CS-0053896

Structure of 612511-81-6

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General Information

  • CAS No. 612511-81-6
  • Cat. No. CS-0053896
  • Purity ≥97%
  • MDL No. MFCD03419807
  • Storage -20°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₉N₃
  • Molecular Weight None
  • Synonym(s) 3-(Aminomethyl)-1-methylpyrazole
  • SMILES NCC1=NN(C)C=C1

Description

This pyrazole-based amine integrates a methyl-substituted heterocyclic scaffold with a primary amine handle, enabling straightforward functionalization in medicinal chemistry. The moiety exhibits favorable solubility and stability under standard conditions, facilitating its use in building diverse bioactive molecules.

Application

(1-Methyl-1H-pyrazol-3-yl)methanamine serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling and functionalization reactions. Its pyrazole scaffold offers enhanced metabolic stability and hydrogen-bonding capacity, while the primary amine facilitates conjugation with carboxylic acids, isocyanates, and electrophiles. The compound exhibits excellent bench stability and ease of purification, making it well-suited for high-throughput synthesis and process development workflows.

Synthesis

  • Route1

    References

    • WO2003/82861 A2, ; Page/Page column 50-51 ; WO 03/082861 A2

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   43.84
  • LogP   -0.1212
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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