Description

1-(3-Isothiocyanato-Propyl)-5-Methyl-3-Trifluoromethyl-1H-Pyrazole is a specialized heterocyclic compound featuring both a pyrazole core and a reactive isothiocyanate functional group. This unique structure makes it a valuable high-purity building block for the synthesis of more complex molecules in advanced research and development. It is primarily utilized by pharmaceutical and agrochemical R&D teams seeking to incorporate the trifluoromethylpyrazole moiety into novel active ingredients.

Application

• Pharmaceutical Intermediate: A key synthon for developing new drug candidates, particularly in medicinal chemistry programs targeting kinase inhibitors or other small molecule therapeutics.
• Agrochemical Research: Serves as a precursor for novel pesticides and herbicides, leveraging the bioactivity of the trifluoromethylpyrazole scaffold.
• Chemical Biology Probe Development: The reactive isothiocyanate group allows for covalent conjugation to proteins or other biomolecules, useful for creating activity-based probes.
• Material Science Research: Potential use in synthesizing advanced organic materials or ligands for metal-organic frameworks (MOFs).
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for client-specific synthesis projects.

Basic Information

Product Name	1-(3-Isothiocyanato-Propyl)-5-Methyl-3-Trifluoromethyl-1H-Pyrazole
CAS No.	1004643-65-5
Molecular Formula	C9H10F3N3S
Molecular Weight	249.26 g/mol
Synonyms	5-Methyl-3-(trifluoromethyl)-1H-pyrazole-1-propanamine, 3-isothiocyanato-; 1-(3-Isothiocyanatopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole; 3-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propyl isothiocyanate; NSC 855065; Pyrazole isothiocyanate derivative; Trifluoromethylpyrazole isothiocyanate
EINECS	Contact for details

Quality Control

Our production of 1-(3-Isothiocyanato-Propyl)-5-Methyl-3-Trifluoromethyl-1H-Pyrazole adheres to stringent in-process controls to ensure batch-to-batch consistency and high purity. Every lot is fully characterized and analyzed using advanced techniques including HPLC, GC, NMR, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment to support your quality and regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at controlled room temperature (15-25°C). Keep the container tightly sealed under an inert atmosphere to maximize stability, as the isothiocyanate group may be sensitive to moisture.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Related Substances (HPLC)	Individual impurity ≤ 1.0%
Total Impurities	≤ 3.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.