79080-39-0

Basic information

• Product Name: 1-methyl-1h-pyrazole-3-carbonitrile
• Synonyms: 1-methyl-1h-pyrazole-3-carbonitrile;1-Methyl-1H-pyrazole-3-carbonitrile 97%;1H-Pyrazole-3-carbonitrile,1-methyl-(9CI);1H-pyrazole-3-carbonitrile, 1-methyl-;1-methyl-1H-pyrazole-3-carbonitrile(SALTDATA: FREE);3-Cyano-1-methyl-1H-pyrazole;1-Methyl-1H-pyrazole-3-carbonitrile97%;1-methylpyrazole-3-carbonitrile
• CAS NO: 79080-39-0
• Molecular Formula: C₅H₅N₃
• Molecular Weight: 107.1133
• EINECS: 604-604-1
• Product Categories: NITRILE
• Mol File: 79080-39-0.mol
• Article Data: 3

Chemical Properties

• Melting Point: 41.5 °C
• Boiling Point: 230.218 °C at 760 mmHg
• Flash Point: 93.033 °C
• Appearance: /
• Density: 1.121 g/cm³
• Vapor Pressure: 0.067mmHg at 25°C
• Refractive Index: 1.579
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -1.77±0.10(Predicted)
• CAS DataBase Reference: 1-methyl-1h-pyrazole-3-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 1-methyl-1h-pyrazole-3-carbonitrile(79080-39-0)
• EPA Substance Registry System: 1-methyl-1h-pyrazole-3-carbonitrile(79080-39-0)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 79080-39-0(Hazardous Substances Data)

Usage

General Description

1-methyl-1h-pyrazole-3-carbonitrile is a chemical compound with the molecular formula C6H6N4. It is a white to off-white powder and is used as an intermediate in the synthesis of pharmaceuticals and agricultural chemicals. 1-methyl-1h-pyrazole-3-carbonitrile is a pyrazole derivative and contains a nitrile group, which makes it useful in the production of various organic compounds. It is also known for its potential bioactivity, making it a valuable building block for the synthesis of diverse pharmacological agents. Additionally, 1-methyl-1h-pyrazole-3-carbonitrile has been studied for its potential as a corrosion inhibitor for metal alloys, further highlighting its versatility in different industrial applications.

InChI:InChI=1/C5H5N3/c1-8-3-2-5(4-6)7-8/h2-3H,1H3

Upstream product

• 89179-62-4 1-methyl-1H-pyrazole-3-carboxamide 
• 17827-61-1 methyl ester of 1-methylpyrazole-3-carboxylic acid 
• 27258-32-8 1-methyl-1H-pyrazole-3-carbaldehyde 
• 36650-74-5 pyrazolecarbonitrile 
• 74-88-4 methyl iodide 

Downstream Products

• 66121-69-5 1-methyl-1H-imidazole-4-carbonitrile 
• 45515-45-5 1-methyl-1H-imidazole-2-carbonitrile 
• 137890-10-9 1-(1-methyl-4-nitro-1H-pyrazol-3-yl)ethanone 
• 1345118-54-8 N-{5-[1-methyl-3-(5-methyl(1,2,4-oxadiazol-3-yl))pyrazol-5-yl](2-pyridyl)}(2-chlorophenyl)carboxamide 
• 1361379-21-6 N-(2,6-difluorophenyl){5-[1-methyl-3-(5-methyl(1,2,4-oxadiazol-3-yl))pyrazol-5-yl](2-thienyl)}carboxamide 
• 1361379-22-7 N-(2-fluorophenyl){5-[1-methyl-3-(5-methyl(1,2,4-oxadiazol-3-yl))pyrazol-5-yl](2-thienyl)}carboxamide 
• 1361379-23-8 (2-chlorophenyl)-N-{5-[1-methyl-3-(5-methyl(1,2,4,-oxadiazol-3-yl))pyrazol-5-yl](1,3-thiazol-2-yl)}carboxamide 
• 612511-81-6 1-(1-methyl-1H-pyrazol-3-yl)methanamine 

Relevant articles and documents

5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER

The invention is directed to substituted 5-(1H-benzo[d]imidazo-2-yl)- pyridin-2-amine and 5-(3H-imidazo[4,5-b]pyridin-6-yl)-pyridin-2-amine derivatives. Specifically, the invention is directed to compounds according to Formula (lb) wherein R', R2', R3', R4', Rs', R6', R7', and X1' are as defined herein; or a salt thereof including a pharmaceutically acceptable salt thereof. The compounds of the invention decrease MYC protein (c-MYC) in cells and/or inhibit p300/CBP histone acetyltransferase and can be useful in the treatment of cardiac hypertrophy, diabetes, obesity and nonalcoholic fatty liver disease, HIV, polycystic kidney disease, inflammatory diseases, ankylosing spondylitis, psoriasis, psoriatic arthritis, rheumatoid arthritis, Crohn's disease, multiple sclerosis, cancer and pre-cancerous syndromes, and diseases associated with dysregulation of Myc or inhibition of p300/CBP histone acetyltransferase. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention still further discloses methods of reducing MYC protein (c-MYC) in cells and inhibiting p300/CBP histone acetyltransferase activity, and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

Nucleophilic Substitution in Quaternary Salts of NN'-Linked Biazoles and Related Systems.

Some reactions of dicationic and monocationic N,N'-linked biazoles and of quaternized 1-(N-azolyl)pyridinium ions with nucleophiles have been studied.Although the pyrrolyl nucleus has been found to be a poor leaving group in these reactions, in other cases nucleophilic attack readily takes place at an azolyl carbon atom, with subsequent elimination of the N-substituent.The 1-methyl-3-(1-methyl-1,2,4-triazol-4-ylio)benzimidazolium dication (1) reacted at room temperature with ammonium, diethylamine, methoxyde, hydroxide, and cyanide ions, and with sodium borohydride, giving in all cases the corresponding 2-substituted benzimidazoles in good yield.In the case of the 2,4,6-trimethyl-1-(2-methylpyrazol-1-io)pyridinium dication (6), the reaction with cyanide ion afforded, regioselectively, 5-cyano-1-methylpyrazole, with no trace of the isomeric 3-cyano-1-methylpyrazole.The synthesis of the cations and dications from N-aminoazoles was easily performed.The reaction of 1-aminobenzimidazole with dehydroacetic acid in aqueous hydrochloric acid gave not only the expected 1-benzimidazol-1-yl-2,6-dimethylpyridin-4(1H)-one (9), but also 3-acetyl-1-benzimidazol-1-yl-4-hydroxy-6-methylpyridin-2(1H)-one (11).In pyridine, a pyran-2,4-dione intermediate (10), isomeric to (11), was also isolated.The quaternization reactions were easily performed, but high temperatures caused cleavage of the N-N bond.