1-Isobutyl-1H-pyrazole: Properties, Handling & Lab Use Guide

1-Isobutyl-1H-pyrazole is a N-substituted pyrazole derivative widely employed as a versatile heterocyclic building block in organic synthesis, medicinal chemistry, and agrochemical research.

Chemical Name

1-Isobutyl-1H-pyrazole

Molecular Formula

C7H12N2

Molecular Weight

124.18 g/mol

CAS Number

Needs review — not confirmed in source material

Compound Class

N-Substituted pyrazole (5-membered nitrogen heterocycle)

Primary Application

Synthetic intermediate and building block for heterocyclic chemistry

Aladdin SKU

I729406

Chemical Identity and Structure

1-Isobutyl-1H-pyrazole belongs to the class of N-substituted pyrazoles, featuring a five-membered aromatic ring containing two adjacent nitrogen atoms. The isobutyl group (2-methylpropyl) is attached at the N-1 position, imparting improved lipophilicity and steric character compared with unsubstituted pyrazole. The molecular formula is C₇H₁₂N₂ with a molecular weight of approximately 124.18 g/mol. The compound retains the aromatic stability of the pyrazole core while the N-alkyl substituent modulates its solubility and reactivity profiles, making it suitable for further functionalization at C-3, C-4, or C-5 positions through electrophilic or directed metalation strategies.

Research Applications

N-Alkylpyrazoles such as 1-Isobutyl-1H-pyrazole serve as key intermediates in multiple research domains:

• Medicinal Chemistry: The pyrazole scaffold is found in numerous bioactive molecules and approved drugs. N-Isobutyl substitution can influence metabolic stability, membrane permeability, and target binding affinity. Researchers use this compound as a starting material for synthesis of pharmacologically active pyrazole derivatives.
• Agrochemical Research: Pyrazole-based frameworks are incorporated into fungicides, herbicides, and insecticides. 1-Isobutyl-1H-pyrazole can serve as a precursor in the development of novel crop-protection agents.
• Material Science and Coordination Chemistry: Pyrazole derivatives coordinate to transition metals, and N-substituted variants tune the steric and electronic environment around the metal center, enabling catalyst design and ligand development.
• Fragment-Based Drug Discovery: The compact, lipophilic structure of 1-Isobutyl-1H-pyrazole makes it relevant as a fragment in fragment-based screening campaigns targeting diverse enzyme classes.

Specific biological data or IC₅₀ values for this exact compound are not confirmed in the source material and should be verified from primary literature before use in research claims.

Safe Handling, Storage, and Waste Disposal

General Precautions: As with all nitrogen heterocyclic compounds, handle 1-Isobutyl-1H-pyrazole with appropriate personal protective equipment (PPE), including nitrile gloves, safety glasses, and a laboratory coat. Operations involving large quantities or fine powders should be conducted in a fume hood to minimize inhalation exposure.

Storage: Store in a tightly sealed container in a cool, dry, well-ventilated area away from oxidizing agents, strong acids, and ignition sources. Refrigerated storage (2–8 °C) is generally recommended for long-term stability of pyrazole derivatives; however, confirm specific conditions from the product SDS and Certificate of Analysis supplied by Aladdin Scientific.

Stability: Pyrazole cores are generally stable under ambient conditions, but prolonged exposure to moisture, heat, or light may cause degradation. Check the product-specific SDS for shelf life and stability data.

Waste Disposal: Dispose of waste in accordance with local, national, and institutional regulations for organic nitrogen-containing compounds. Do not pour down the drain without verifying local effluent standards.

Note: Specific GHS hazard classifications, flash point, and LD₅₀ values for 1-Isobutyl-1H-pyrazole (SKU I729406) are not confirmed in the provided source material. Consult the product SDS before use.

Purity, Quality Specifications, and Ordering Information

Aladdin Scientific supplies 1-Isobutyl-1H-pyrazole under SKU I729406. Researchers should request the Certificate of Analysis (CoA) and Safety Data Sheet (SDS) at the time of ordering to verify:

• Purity (typically confirmed by GC, HPLC, or NMR for research-grade pyrazoles)
• Identity confirmation (NMR, MS, or IR spectral data)
• Lot-specific impurity profiles
• Recommended storage conditions and shelf life

For bulk or custom quantities, contact Aladdin Scientific's procurement team. Ensure all regulatory and import/export compliance requirements are met for your jurisdiction before ordering.

Specific purity values and available pack sizes for SKU I729406 are not stated in the source material; verify current specifications on the Aladdin Scientific product page or with your account manager.

Frequently asked questions

What is 1-Isobutyl-1H-pyrazole used for in research?

1-Isobutyl-1H-pyrazole is primarily used as a heterocyclic building block and synthetic intermediate in medicinal chemistry, agrochemical development, and coordination chemistry. Its N-isobutyl substituted pyrazole core enables further derivatization at ring carbon positions to generate pharmacologically or agrochemically relevant compounds.

How should 1-Isobutyl-1H-pyrazole be stored to maintain stability?

Store 1-Isobutyl-1H-pyrazole in a tightly sealed container under cool, dry, and well-ventilated conditions, away from moisture, strong oxidizers, and ignition sources. Refrigerated storage at 2–8 °C is generally recommended for pyrazole derivatives to ensure long-term stability. Always refer to the product-specific SDS and CoA from Aladdin Scientific for confirmed storage guidance.

What is the molecular formula and molecular weight of 1-Isobutyl-1H-pyrazole?

1-Isobutyl-1H-pyrazole has the molecular formula C7H12N2 and a molecular weight of approximately 124.18 g/mol. These values reflect the pyrazole ring (C3H3N2) substituted with an N-isobutyl (2-methylpropyl, C4H9) group.

How do I confirm the purity and identity of the 1-Isobutyl-1H-pyrazole I receive from Aladdin Scientific?

Request the Certificate of Analysis (CoA) for the specific lot number at the time of ordering or upon receipt. The CoA will detail purity as determined by analytical methods such as GC, HPLC, or NMR, and will provide identity confirmation data including spectral references. Contact Aladdin Scientific customer support if the CoA is not included with your shipment.

Can 1-Isobutyl-1H-pyrazole be further functionalized for use in drug synthesis?

Yes, the pyrazole ring in 1-Isobutyl-1H-pyrazole can be functionalized at the C-3, C-4, and C-5 positions using standard synthetic strategies such as directed metalation, electrophilic halogenation, and cross-coupling reactions. This flexibility makes it a valuable scaffold for building libraries of drug-like pyrazole derivatives.

References

1. Elguero, J. Pyrazoles. In Comprehensive Heterocyclic Chemistry; Katritzky, A. R., Rees, C. W., Eds.; Pergamon: Oxford, 1984. (General reference on pyrazole chemistry and properties.)
2. Aladdin Scientific Product Page for 1-Isobutyl-1H-pyrazole, SKU I729406. Aladdin Scientific Corp.
3. Fustero, S.; Sánchez-Roselló, M.; Barrio, P.; Simón-Fuentes, A. From 2000 to mid-2010: A fruitful decade for the synthesis of pyrazoles. Chem. Rev. 2011, 111, 6984–7034. (General pyrazole synthesis review; applicability to this specific compound needs verification.) doi:10.1021/crerner

Products are supplied for research and development use only. Not for use in humans, animals, diagnosis, or therapy.