1-Methyl-1H-pyrazol-3(2H)-one

Name: 1-Methyl-1H-pyrazol-3(2H)-one
Brand: ChemScene
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CAS No. 52867-35-3
Cat. No. CS-W004808
Purity≥98%
MDL No.MFCD21604051

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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-Methyl-1H-pyrazol-3(2H)-one|CS-W004808

Structure of 52867-35-3

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General Information

CAS No. 52867-35-3
Cat. No. CS-W004808
Purity ≥98%
MDL No. MFCD21604051
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₆N₂O
Molecular Weight 98.10
Synonym(s) 3-Hydroxy-1-methylpyrazole
SMILES O=C1NN(C)C=C1

Description

1-Methyl-1H-pyrazol-3(2H)-one features a fused heterocyclic core with a methyl-substituted pyrazole ring and a ketone functionality at the 3-position. This bench-stable compound serves as a key scaffold in medicinal chemistry, integrating readily into diverse molecular architectures through its reactive carbonyl and nitrogen sites.

Application

1-Methyl-1H-pyrazol-3(2H)-one serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based heterocycles. Its enolizable amide functionality facilitates nucleophilic substitution and metal-catalyzed coupling reactions, while the methyl group enhances metabolic stability. The compound exhibits good bench stability and compatibility with standard purification methods, making it suitable for high-throughput synthesis and API intermediate development.

Safety Information

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GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: 1759
Class : 8	Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 37.79
LogP -0.2866
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Key Words

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1-Methyl-1H-pyrazol-3(2H)-one

CAS No. 52867-35-3

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