207909-05-5

Basic information

• Product Name: 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile
• Synonyms: 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile;3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile 95%;3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile95%
• CAS NO: 207909-05-5
• Molecular Formula: C₁₁H₉N₃
• Molecular Weight: 183.20926
• Mol File: 207909-05-5.mol
• Article Data: 1

Chemical Properties

• Melting Point: 94 °C
• Boiling Point: 349.935 °C at 760 mmHg
• Flash Point: 165.435 °C
• Appearance: /
• Density: 1.117 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.61
• PKA: 1.05±0.10(Predicted)
• CAS DataBase Reference: 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile(207909-05-5)
• EPA Substance Registry System: 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile(207909-05-5)

Safety Data

• Hazardous Substances Data: 207909-05-5(Hazardous Substances Data)

Usage

General Description

3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile is a chemical compound with the molecular formula C11H9N3. It is a white to light yellow solid that is used in the pharmaceutical industry as a building block for the synthesis of various pharmaceutical compounds. This chemical is a pyrazole derivative and contains a benzonitrile group. It is commonly used in the research and development of new drugs and has potential applications in the treatment of various diseases. Additionally, this compound may also be used in the field of organic chemistry for the synthesis of complex organic molecules. Overall, 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile is a versatile chemical that has many potential applications in the pharmaceutical and chemical industries.

InChI:InChI=1/C11H9N3/c1-14-6-5-11(13-14)10-4-2-3-9(7-10)8-12/h2-7H,1H3

Upstream product

• 179055-13-1 (E)-3-(3-(dimethylamino)acryloyl)benzonitrile 
• 60-34-4 methylhydrazine 
• 6136-68-1 3-acethylbenzonitrile 

Downstream Products

• 179056-65-6 Benzyl-[3-(1-methyl-1H-pyrazol-3-yl)-benzyl]-amine 
• 179056-40-7 Cycloheptyl-[3-(1-methyl-1H-pyrazol-3-yl)-benzyl]-amine 
• 179056-79-2 3-(1-methyl-1H-pyrazol-3-yl)benzaldehyde 

Relevant articles and documents

Inhibitors of acyl-coA:cholesterol O-acyltransferase. 2. Identification and structure-activity relationships of a novel series of N-alkyl-N- (heteroaryl-substituted benzyl)-N'-arylureas

A series of N-alkyl-N-(heteroaryl-substituted benzyl)-N'-arylurea and related derivatives represented by 2 and 3 have been prepared and evaluated for their ability to inhibit acyl-CoA:cholesterol O-acyltransferase in vitro and to lower plasma cholesterol levels in cholesterol-fed rats in vivo. Among these novel compounds, the type 3 series was superior. A pyrazol-3-yl group on the N-benzyl group of this trisubstituted urea (i.e. 3, Ar1 = pyrazol-3- yl) was identified as a heteroaromatic ring providing a good profile of biological activity. As a result of optimization of the combination with the N-alkyl group (R) and N-aryl group (At3), compound 3aq (FR186054) was identified as a new, orally efficacious ACAT inhibitor, which exhibited potent in vitro ACAT inhibitory activity (rabbit intestinal microsomes IC50 = 99 nM) and excellent hypocholesterolemic effects in cholesterol-fed rats, irrespective of administration mode (ED50 = 0.046 mg/kg dosed via the diet, ED50 = 0.44 mg/kg administered by gavage in PEG400 vehicle). Moreover, a toxicological study revealed compound 3aq to be nontoxic to the adrenal glands of dogs when tested at a single dose of 10 mg/kg po.