149739-51-5

Basic information

• Product Name: 3-(2H-Pyrazol-3-yl)benzonitrile
• Synonyms: 3-(1H-pyrazol-5-yl)benzonitrile;Benzonitrile, 3-(1H-pyrazol-3-yl)-;3-(2H-Pyrazol-3-yl)-benzonitrile;3-(3-Pyrazolyl)benzonitrile
• CAS NO: 149739-51-5
• Molecular Formula: C₁₀H₇N₃
• Molecular Weight: 169.18268
• Mol File: 149739-51-5.mol

Chemical Properties

• Boiling Point: 413.6±28.0 °C(Predicted)
• Appearance: /
• Density: 1.27±0.1 g/cm3(Predicted)
• PKA: 12.51±0.10(Predicted)
• CAS DataBase Reference: 3-(2H-Pyrazol-3-yl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2H-Pyrazol-3-yl)benzonitrile(149739-51-5)
• EPA Substance Registry System: 3-(2H-Pyrazol-3-yl)benzonitrile(149739-51-5)

Safety Data

• Hazardous Substances Data: 149739-51-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-(2H-Pyrazol-3-yl)benzonitrile is used as an intermediate in the synthesis of various biologically active compounds for the development of new drugs.
Used in Agrochemical Industry:
3-(2H-Pyrazol-3-yl)benzonitrile is used as an intermediate in the synthesis of herbicidal and pesticidal compounds for crop protection products.
Despite its potential applications, 3-(2H-Pyrazol-3-yl)benzonitrile has limited literature and research available on its properties and uses, making it an area of interest for further study and exploration.

Upstream product

• 6136-68-1 3-acethylbenzonitrile 
• 179055-13-1 (E)-3-(3-(dimethylamino)acryloyl)benzonitrile 

Downstream Products

• 1201681-74-4 3,3',3-[ethylidynetris(1H-pyrazole-1,3-diyl)]tribenzonitrile 
• 1201681-71-1 3,3',3-[methylidynetris(1H-pyrazole-1,3-diyl)]tribenzonitrile 
• 1201681-72-2 C₂₆H₂₀N₈ 
• 1201681-73-3 C₂₅H₁₈N₈ 
• 179057-00-2 (2-Methoxy-benzyl)-[3-(2H-pyrazol-3-yl)-benzyl]-amine 
• 179057-01-3 (3-Methoxy-benzyl)-[3-(2H-pyrazol-3-yl)-benzyl]-amine 

Relevant articles and documents

PURINES AND METHODS OF THEIR USE

Disclosed are compounds useful in the treatment of neurological disorders. The compounds described herein, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological diseases.

NITROGENOUS FUSED?RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF

The present invention provides a compound having an excellent inhibitory action on activation of STAT6 and a pharmaceutical composition thereof. Inparticular, it provides a compound represented by the following formula (I), a salt thereof or a hydrate of them. In the formula, X represents a nitrogen-containing condensed aromatic heterocyclic group such as imidazo[1,2-a]pyridine, benzimidazole, quinazoline, quinoline, or 2,1-benzisoxazole and has (R4)n as substituent groups; Y represents a C3-8 cycloalkyl group, C4-8 cycloalkenyl group, 5- to 14-membered non-aromatic heterocyclic group, C6-14 aromatic hydrocarbon cyclic group or 5- to 14-membered aromatic heterocyclic group; n in (R4)n is 0, 1, 2 or 3, and Z groups independently represent (1) hydrogen atom, (2) amino group, (3) halogen atom, (4) hydroxyl group, (5) nitro group, (6) cyano group, (7) azido group, (8) formyl group, (9) hydroxyamino group, (10) sulfamoyl group, (11) guanodino group, (12) oxo group, (13) C2-6 alkenyl group, (14) C1-6 alkoxy group, (15) C1-6 alkylhydroxyamino group, (16) halogenated C1-6 alkyl group, (17) halogenated C2-6 alkenyl group, (18) (i) C3-7cycloalkyl group, (ii) C3-7cycloalkenyl group, (iii) 5- to 14-membered non-aromatic heterocyclic group, each of which may have one or more substituent groups Q, or (19) formula -M1-M2-M3, R1 represents (1) hydrogen atom, (2) halogen atom, (3) hydroxyl group, (4) nitro group, (5) cyano group, (6) halogenated C1-6 alkyl group, (7) C2-6 alkyl group substituted with a hydroxyl or cyano group, (8) C2-6 alkenyl group, or (9) formula -L1-L2-L3, and R2 represents a hydrogen atom or a protecting group; and R3 represents a hydrogen atom, halogen atom, cyano group, amino group, C1-4 alkyl group or halogenated C1-4 alkyl group.

Synthesis, X-ray crystal structure, and biological activity of FR186054, a novel, potent, orally active inhibitor of acyl-CoA: Cholesterol O-acyltransferase (ACAT) bearing a pyrazole ring

The synthesis, single crystal X-ray structural analysis, and biological activity of FR186054 (2c), a new, potent, orally efficacious inhibitor of acyl-CoA: cholesterol O-acyltransferase (ACAT), containing a pyrazole ring are described. This compound displ

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.