179057-34-2 | 4-((1H-Pyrazol-1-yl)methyl)benzonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$90.00	$63.00
5g	98%	in stock	$203.00	$142.00
25g	98%	in stock	$387.00	$271.00
100g	98%	in stock	$636.00	$445.00

Description

• Catalog Number: AB01841
• Chemical Name: 4-((1H-Pyrazol-1-yl)methyl)benzonitrile
• CAS Number: 179057-34-2
• Molecular Formula: C11H9N3
• Molecular Weight: 183.2093
• MDL Number: MFCD07687291
• SMILES: N#Cc1ccc(cc1)Cn1cccn1

Computed Properties

• Complexity: 222
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 1.5

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101