1-(1-Methyl-1H-pyrazol-4-yl)ethanone

Name: 1-(1-Methyl-1H-pyrazol-4-yl)ethanone
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CAS No. 37687-18-6
Cat. No. CS-W008589
Purity≥98%
MDL No.MFCD00159640

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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-(1-Methyl-1H-pyrazol-4-yl)ethanone|CS-W008589

Structure of 37687-18-6

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General Information

CAS No. 37687-18-6
Cat. No. CS-W008589
Purity ≥98%
MDL No. MFCD00159640
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₈N₂O
Molecular Weight 124.14
Synonym(s) 1-(1-METHYL-1H-PYRAZOL-4-YL)-ETHANONE
SMILES CC(C1=CN(C)N=C1)=O

Description

1-(1-Methyl-1H-pyrazol-4-yl)ethanone features a pyrazole core functionalized with a methyl group at the 1-position and a ketone at the 4-position, delivering a robust scaffold for synthetic diversification. This bench-stable compound integrates readily into medicinal chemistry campaigns, where its electron-deficient heterocycle enables selective reactivity in cross-coupling and condensation processes.

Application

1-(1-Methyl-1H-pyrazol-4-yl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrazole-based scaffolds. Its acetyl group facilitates electrophilic substitution and condensation reactions, while the pyrazole ring offers robust stability and compatibility with diverse functional groups. The compound exhibits excellent bench stability and ease of purification, making it well-suited for scalable synthesis and downstream derivatization in API development.

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 34.89
LogP 0.6227
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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1-(1-Methyl-1H-pyrazol-4-yl)ethanone

CAS No. 37687-18-6

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