5-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine

Name: 5-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1393181-01-5
Cat. No. CS-0187942
Purity≥95%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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5-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine|CS-0187942

Structure of 1393181-01-5

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Description

5-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine serves as a versatile heterocyclic scaffold for medicinal chemistry and materials synthesis. This electron-deficient core integrates readily into bioactive molecules, offering enhanced metabolic stability and favorable binding interactions in kinase inhibition studies. The chloro and methyl substituents enable selective functionalization under mild conditions, facilitating rapid diversification in lead optimization campaigns.

Application

5-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient access to functionalized heterocycles via palladium-catalyzed cross-coupling reactions. Its chloro substituent facilitates nucleophilic displacement and Suzuki-Miyaura coupling, while the methyl group enhances solubility and metabolic stability. The scaffold exhibits excellent bench stability and compatibility with diverse reaction conditions, making it ideal for rapid library synthesis and API development.

General Information

CAS No. 1393181-01-5
Cat. No. CS-0187942
Purity ≥95%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₅ClN₄
Molecular Weight 168.58
Synonym(s) None
SMILES CN1C2=CN=C(Cl)N=C2C=N1

Computational Chemistry Data

TPSA 43.6
LogP 1.0167
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 0

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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5-Chloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine

CAS No. 1393181-01-5

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