20583-33-9 | 1-(1H-Pyrazol-3-yl)ethanone

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$16.00	$12.00
250mg	98%	in stock	$20.00	$14.00
1g	98%	in stock	$22.00	$16.00
5g	98%	in stock	$94.00	$66.00

Description

• Catalog Number: AF33909
• Chemical Name: 1-(1H-Pyrazol-3-yl)ethanone
• CAS Number: 20583-33-9
• Molecular Formula: C5H6N2O
• Molecular Weight: 110.1139
• MDL Number: MFCD10686790
• SMILES: CC(=O)c1ccn[nH]1
• NSC Number: 334648

Computed Properties

• Complexity: 103
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.2

Upstream Synthesis Route

1-(1H-Pyrazol-3-yl)ethanone is a versatile compound used in chemical synthesis as a key building block for the preparation of various organic molecules. Its unique structure containing a pyrazole ring makes it valuable in the formation of heterocyclic compounds with diverse pharmacological properties. In organic synthesis, this compound serves as a vital intermediate for the synthesis of pharmaceuticals, agrochemicals, and functional materials. Additionally, the presence of the ketone moiety enables further functionalization through various chemical reactions, allowing for the creation of complex molecular structures with tailored properties.