Cas no 1017783-22-0 (1-(1H-pyrazol-3-yl)propan-2-amine)

1-(1H-Pyrazol-3-yl)propan-2-amine is a heterocyclic amine compound featuring a pyrazole core linked to a propan-2-amine moiety. This structure imparts versatility in synthetic applications, particularly in pharmaceutical and agrochemical research, where it may serve as a key intermediate or pharmacophore. The pyrazole ring contributes to stability and potential bioactivity, while the amine functionality allows for further derivatization, enhancing its utility in drug discovery and material science. Its well-defined chemical properties and reactivity make it suitable for controlled modifications, supporting the development of novel compounds with tailored characteristics. The compound is typically handled under standard laboratory conditions, ensuring consistent performance in synthetic workflows.
1-(1H-pyrazol-3-yl)propan-2-amine structure
1017783-22-0 structure
Product Name:1-(1H-pyrazol-3-yl)propan-2-amine
CAS No:1017783-22-0
MF:C6H11N3
MW:125.171640634537
CID:97964
PubChem ID:46942004
Update Time:2025-06-29

1-(1H-pyrazol-3-yl)propan-2-amine Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-ethanamine,a-methyl-
    • 1-(1H-pyrazol-3-yl)propan-2-amine
    • 1-(1H-pyrazol-5-yl)propan-2-amine
    • 1H-Pyrazole-3-ethanamine, α-methyl-
    • AKOS010608816
    • DTXSID70677501
    • FT-0767480
    • I11135
    • 1017783-22-0
    • EN300-1695973
    • A16294
    • 1H-Pyrazole-3-ethanaMine, a-Methyl-
    • DB-011791
    • Inchi： 1S/C6H11N3/c1-5(7)4-6-2-3-8-9-6/h2-3,5H,4,7H2,1H3,(H,8,9)
    • InChI Key： KCYGESYSBXWUJF-UHFFFAOYSA-N
    • SMILES： NC(C)CC1=CC=NN1

Computed Properties

  • Exact Mass: 125.09500
  • Monoisotopic Mass: 125.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 2
  • Complexity: 84.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 54.7A^2
  • XLogP3: 0

Experimental Properties

  • Density: 1.094
  • Boiling Point: 281.2 °C at 760 mmHg
  • Flash Point: 148.5 °C
  • PSA: 54.70000
  • LogP: 0.99970

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1-(1H-pyrazol-3-yl)propan-2-amine Related Literature

Additional information on 1-(1H-pyrazol-3-yl)propan-2-amine

1-(1H-pyrazol-3-yl)propan-2-amine: A Comprehensive Overview

1-(1H-pyrazol-3-yl)propan-2-amine, also known by its CAS number 1017783-22-0, is a versatile organic compound with significant applications in various fields, including pharmaceuticals, agrochemicals, and materials science. This compound has garnered attention due to its unique chemical properties and potential for further functionalization. In recent years, advancements in synthetic methodologies and computational modeling have shed light on its structural dynamics and reactivity, making it a subject of interest for both academic and industrial researchers.

The molecular structure of 1-(1H-pyrazol-3-yl)propan-2-amine comprises a pyrazole ring fused with an amine group, creating a heterocyclic framework that exhibits remarkable stability and reactivity. The pyrazole moiety, a five-membered ring containing two nitrogen atoms, is known for its aromaticity and ability to participate in hydrogen bonding, which enhances its solubility in polar solvents. The propanamine group attached to the pyrazole ring introduces additional functionality, enabling the compound to act as a versatile building block in organic synthesis.

Recent studies have explored the role of 1-(1H-pyrazol-3-yl)propan-2-amine as a precursor in the synthesis of bioactive molecules. For instance, researchers have utilized this compound to develop novel inhibitors for kinase enzymes, which are critical targets in cancer therapy. The ability of this compound to form stable complexes with metal ions has also been exploited in the design of coordination polymers and metallo-drugs.

In the field of agrochemistry, 1-(1H-pyrazol-3-yl)propan-2-amine has been investigated as a potential lead for fungicides and herbicides. Its ability to modulate plant-microbe interactions has been highlighted in recent publications, suggesting its role in enhancing crop resilience against pathogens.

The synthesis of 1-(1H-pyrazol-3-yl)propan-2-amine has been optimized through various routes, including nucleophilic substitution and cyclization reactions. Recent advancements in catalytic methods have enabled higher yields and improved purity, making this compound more accessible for large-scale production.

From a materials science perspective, 1-(1H-pyrazol-3-yl)propan-2-amine has shown promise as a component in advanced materials such as conductive polymers and stimuli-responsive hydrogels. Its ability to undergo reversible redox reactions makes it a candidate for energy storage applications.

In conclusion, 1-(1H-pyrazol-3-yL)propan - 2 - amine (CAS No: 10 778 - 2 - 0) is a multifaceted compound with vast potential across diverse industries. Ongoing research continues to uncover new applications and improve its synthetic processes, underscoring its importance as a key molecule in modern chemistry.

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