1-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid

Name: 1-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid
Brand: ChemScene
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CAS No. 1152949-12-6
Cat. No. CS-0343287
Purity≥95%
MDL No.None

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Type	HazMat Fee
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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid|CS-0343287

Structure of 1152949-12-6

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General Information

CAS No. 1152949-12-6
Cat. No. CS-0343287
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₆Cl₂N₂O₂
Molecular Weight 257.07
Synonym(s) None
SMILES O=C(C1=NN(C2=CC=C(C(Cl)=C2)Cl)C=C1)O

Description

This pyrazole carboxylic acid features a 3,4-dichlorophenyl group conjugated to a pyrazole core, delivering enhanced electron-withdrawing character and improved metabolic stability. The carboxylic acid functionality enables direct coupling in peptide synthesis or salt formation for solubility optimization. Bench-stable under standard conditions, this compound serves as a key building block in medicinal chemistry campaigns targeting kinase inhibitors and CNS modulators.

Application

1-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard coupling and functionalization reactions. The molecule features orthogonal reactivity at the carboxylic acid and pyrazole nitrogen sites, supporting efficient derivatization under mild conditions. Bench-stable and readily purified by recrystallization, it functions as a key scaffold for developing kinase inhibitors and other targeted therapeutics.

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 2.8773
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

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(3,4-Dichlorophenyl)-1H-pyrazole-3-carboxylic acid

CAS No. 1152949-12-6

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