50920-65-5

Basic information

• Product Name: 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
• Synonyms: BUTTPARK 37\06-99;Ethylmethylpyrazolecarboxylicacid;1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid 97%;2-ethyl-5-methyl-3-pyrazolecarboxylic acid;2-ethyl-5-methyl-pyrazole-3-carboxylic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;1H-Pyrazole-5-carboxylicacid, 1-ethyl-3-methyl-;TIMTEC-BB SBB005436
• CAS NO: 50920-65-5
• Molecular Formula: C₇H₁₀N₂O₂
• Molecular Weight: 154.17
• Product Categories: Heterocyclic Compounds;Building Blocks;Heterocyclic Building Blocks;Pyrazoles;Building Blocks;C7 to C8;Chemical Synthesis;Heterocyclic Building Blocks
• Mol File: 50920-65-5.mol
• Article Data: 6

Chemical Properties

• Melting Point: 130 °C
• Boiling Point: 308.5 °C at 760 mmHg
• Flash Point: 140.4 °C
• Appearance: /
• Density: 1.23 g/cm³
• Vapor Pressure: 0.000293mmHg at 25°C
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 3.27±0.10(Predicted)
• CAS DataBase Reference: 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID(50920-65-5)
• EPA Substance Registry System: 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID(50920-65-5)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g
• WGK Germany: 3
• RTECS: UQ6407500
• HazardClass: IRRITANT
• Hazardous Substances Data: 50920-65-5(Hazardous Substances Data)

Usage

Description

1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid is an organic compound with the molecular formula C7H10N2O2. It is a derivative of pyrazole-carboxylic acid, featuring an ethyl and a methyl group attached to the first and third positions, respectively. 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID is known for its potential applications in various fields due to its unique chemical structure and properties.

Uses

Used in Pharmaceutical Industry:
1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid is used as a reagent for the synthesis of a new class of 2-phenylhydrazinylidene derivatives. These derivatives serve as antivirulence agents, specifically targeting and inhibiting Staphylococcus aureus biofilm formation. By disrupting the biofilm, these agents can potentially reduce the virulence of S. aureus, a common cause of various infections, and improve the effectiveness of treatments against this pathogen.

InChI:InChI=1/C7H10N2O2/c1-3-9-6(7(10)11)4-5(2)8-9/h4H,3H2,1-2H3,(H,10,11)/p-1

Upstream product

• 50920-64-4 1-ethyl-3-methyl-5-pyrazolecarboxylic acid ethyl ester 
• 615-79-2 ethyl 2,4-diketopentanoate 
• 4027-57-0 ethyl 5-methyl-2H-pyrazole-3-carboxylate 
• 74-96-4 ethyl bromide 
• 25016-17-5 5-methyl-2H-pyrazole-3-carboxylic acid methyl ester 

Downstream Products

• 1025717-22-9 N-(3-(4-methoxypyrimidin-2-ylamino)-4-methylphenyl)-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide 
• 1092392-05-6 N-[5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)-2-fluorophenyl]-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide 
• 1005785-14-7 N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide 
• 1005784-63-3 N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide 
• 1253428-85-1 3-(1-ethyl-3-methylpyrazol-5-yl)-2-(4-tertbutylphenyl)-3-hydroxy-acrylonitrile 

Relevant articles and documents

Heterocyclic amide compound, pharmaceutically acceptable salt thereof, and preparation method and application of heterocyclic amide compound

The invention discloses a heterocyclic amide compound represented by a general formula (I) and a pharmaceutically acceptable salt thereof, also discloses a preparation method of the compound as shownin the formula I and the pharmaceutically acceptable salt thereof, and discloses application of the compound in preparation of medicines for treating diseases related to STING activity, immunologic adjuvants and medicines for activating STIGN. A new choice is provided for clinically screening and/or preparing drugs for STING activity related diseases.

Design, Synthesis, and Acaricidal Activities of Novel Pyrazole Acrylonitrile Compounds

Using cyenopyrafen as the lead compound, a series of novel pyrazole acrylonitrile compounds were designed and synthesized via the reaction of butylphenylacetonitrile with the corresponding (substituted pyrazol-5-yl) methanone of pyrethroid alcohols in the presence of potassium tert-butoxide. These compounds showed prominent acaricidal activity against Tetranchus urticae. In particular, IIf, IIh, IIo, and IIp displayed excellent activities, which the median lethal concentrations were all lower 0.4 mg/L. In addition, the structure-activity relationship for the target compounds was discussed.

A new class of phenylhydrazinylidene derivatives as inhibitors of Staphylococcus aureus biofilm formation

In the struggle against the emergence of the antibiotic resistance, new molecules targeting biofilm formation could be useful as adjuvant of conventional antibiotics. This study focused on a new class of 2-phenylhydrazinylidene derivatives as antivirulence agents. The compound 12e showed interesting activities against biofilm formation of all tested Staphylococcus aureus strains with IC50 ranging from 1.7 to 43 μM; compounds 12f and 13a resulted strong inhibitors of S. aureus ATCC 6538 and ATCC 29213 biofilm formation with IC50 of 0.9 and 0.8 μM, respectively. A preliminary study on the mechanism of action was carried on evaluating the inhibition of sortase A transpeptidase. Compound 12e resulted not to be toxic at 1 mg/ml by using an in vivo model (the wax moth larva model, Galleria mellonella).