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

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

Uses

Used in Pharmaceutical Industry:
3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile is used as a building block for the synthesis of pharmaceutical compounds due to its unique chemical structure and properties. It contributes to the development of new drugs with potential applications in the treatment of various diseases.
Used in Organic Chemistry:
In the field of organic chemistry, 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile is used as a synthetic intermediate for the creation of complex organic molecules. Its presence in these reactions facilitates the formation of diverse chemical entities, broadening the scope of organic synthesis.
Used in Drug Research and Development:
3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile is employed as a key component in the research and development of new drugs. Its incorporation into drug molecules can enhance their efficacy and selectivity, making it a valuable asset in the advancement of pharmaceutical treatments.

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

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

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.