3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Name: 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
Brand: ChemScene
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CAS No. 176969-34-9
Cat. No. CS-W021775
Purity≥97%
MDL No.MFCD11865267

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid|CS-W021775

Structure of 176969-34-9

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General Information

CAS No. 176969-34-9
Cat. No. CS-W021775
Purity ≥97%
MDL No. MFCD11865267
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₆F₂N₂O₂
Molecular Weight 176.12
Synonym(s) 4-Carboxy-3-difluoromethyl-1-methyl pyrazole
SMILES O=C(C1=CN(C)N=C1C(F)F)O

Description

This difluoromethyl-substituted pyrazole carboxylic acid features a polar, electron-deficient heterocyclic core paired with a moisture-tolerant difluoromethyl group. The methyl substitution enhances stability and solubility in common organic solvents. This scaffold integrates readily into bioactive molecules, serving as a strategic building block for medicinal chemistry campaigns targeting metabolic stability and membrane permeability.

Application

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid serves as a versatile building block for medicinal chemistry and agrochemical research, enabling direct incorporation of a polar, metabolically stable difluoromethyl group adjacent to a pyrazole core. Its carboxylic acid functionality facilitates amidation, esterification, and coupling reactions, while the 1-methyl substitution enhances solubility and stability. The molecule exhibits robust bench stability and compatibility with standard synthetic workflows, supporting efficient access to diverse heterocyclic scaffolds in drug discovery programs.

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 55.12
LogP 1.0559
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Building Blocks for Pharmaceutical Ingredients

Key Words

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3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

CAS No. 176969-34-9

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