1,5-Dimethyl-1H-pyrazole-4-carboxylic acid

Name: 1,5-Dimethyl-1H-pyrazole-4-carboxylic acid
Brand: ChemScene
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CAS No. 31728-75-3
Cat. No. CS-W005926
Purity≥95%
MDL No.MFCD02090876

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1,5-Dimethyl-1H-pyrazole-4-carboxylic acid|CS-W005926

Structure of 31728-75-3

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General Information

CAS No. 31728-75-3
Cat. No. CS-W005926
Purity ≥95%
MDL No. MFCD02090876
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₈N₂O₂
Molecular Weight 140.14
Synonym(s) 1,5-Dimethylpyrazole-4-carboxylic acid
SMILES CN1N=CC(C(O)=O)=C1C

Description

1,5-Dimethyl-1H-pyrazole-4-carboxylic acid features a pyrazole core with complementary methyl and carboxylic acid groups enabling direct integration into bioactive scaffolds. The electron-deficient heterocycle supports diverse coupling reactions, while the carboxylic acid facilitates derivatization under standard conditions. This bench-stable reagent offers precise functional group placement for medicinal chemistry applications.

Application

1,5-Dimethyl-1H-pyrazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocyclic scaffolds. Its carboxylic acid functionality facilitates direct coupling reactions and salt formation, while the pyrazole core provides metabolic stability and favorable pharmacokinetic properties. Bench-stable and readily purified, it functions effectively in amide bond formations, esterifications, and transition-metal-catalyzed couplings, supporting scalable synthesis of API candidates and functionalized intermediates.

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 55.12
LogP 0.42672
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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1,5-Dimethyl-1H-pyrazole-4-carboxylic acid

CAS No. 31728-75-3

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