5346-56-5

Basic information

• Product Name: 5-AMINO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE
• Synonyms: 5-AMINO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE;5-AMINO-4-CYANO-3-METHYL-1-PHENYLPYRAZOLE;TIMTEC-BB SBB005517;5-Amino-4-cyano-3-methyl-1-phenyl-1H-pyrazole;5-Amino-3-methyl-1-phenyl-1H-pyrazole-4-
• CAS NO: 5346-56-5
• Molecular Formula: C₁₁H₁₀N₄
• Molecular Weight: 198.22
• Product Categories: Azoles;blocks;Carboxes
• Mol File: 5346-56-5.mol
• Article Data: 20

Chemical Properties

• Melting Point: 129 °C
• Boiling Point: 408.2 °C at 760 mmHg
• Flash Point: 200.7 °C
• Appearance: /
• Density: 1.23g/cm³
• Vapor Pressure: 8.41E-13mmHg at 25°C
• Refractive Index: 1.73
• Storage Temp.: 2-8°C
• PKA: -0.41±0.10(Predicted)
• CAS DataBase Reference: 5-AMINO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-AMINO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE(5346-56-5)
• EPA Substance Registry System: 5-AMINO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE(5346-56-5)

Safety Data

• Hazardous Substances Data: 5346-56-5(Hazardous Substances Data)

Usage

General Description

5-Amino-3-Methyl-1-Phenyl-1H-Pyrazole-4-Carbonitrile is a chemical compound that falls under the pyrazole class. Pyrazoles are known for their variety of biological activities, including anti-inflammatory, antioxidant, anticancer, antibacterial, antifungal, and analgesic properties. They also form the basis of many medical drugs and agricultural products. The specific uses of this compound depend on the context and the compounds it's been mixed with. As a singular chemical, its structure consists of a pyrazole ring - a five-membered ring with three carbon atoms and two nitrogen atoms. The rest of the name describes the substitutions on the pyrazole ring: there’s a 5-amino group, a 3-methyl group, a 1-phenyl group, and a 4-carbonitrile group.

InChI:InChI=1/C11H8N4O5/c16-14(17)7-3-4-9-8(6-7)13(10-2-1-5-12-10)11(20-9)15(18)19/h1-6,11-12H

Upstream product

• 100-63-0 phenylhydrazine 
• 5417-82-3 (1-ethoxyethylidene)malononitrile 
• 101309-49-3 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbothioamide 
• 53106-29-9 5-amino-3-methyl-1-phenyl-1H-5-pyrazole carbaldehyde oxime 
• 1131-17-5 5-chloro-3-methyl-1-phenyl-1H-pyrazole 
• 947-95-5 5-chloro-4-formyl-3-methyl-1-phenyl-1H-pyrazole 
• 114362-54-8 5-azido-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde 
• 52217-35-3 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde 
• 1187-11-7 acetylmalonodinitrile 
• 5515-16-2 2-(methoxyethylidene)propanedinitrile 
• 59-88-1 phenylhydrazine hydrochloride 
• 78-39-7 Triethyl orthoacetate 
• 109-77-3 malononitrile 
• 75-07-0 acetaldehyde 

Downstream Products

• 1131-18-6 1-Phenyl-3-methyl-5-aminopyrazole 
• 18093-92-0 3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile 
• 173260-04-3 dimethyl 4-amino-3-methyl-1-phenylpyrazolo<3,4-b>pyridine-5,6-dicarboxylate 
• 913607-91-7 4-imino-3-methyl-1,5-diphenyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-d]pyrimidine-6-thione 
• 1021358-98-4 3-methyl-6-(methylthio)-1,5-diphenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-imine 
• 947619-40-1 6-hydrazino-3-methyl-1,5-diphenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-imine 
• 137576-87-5 1-Phenyl-3-methyl-4-pyrazolethiocarboxamide 
• 137576-92-2 2-<4-(1-Phenyl-3-methylpyrazolyl)>-4-thiazolylcarboxylic acid 
• 137576-97-7 2-<4-(1-Phenyl-3-methylpyrazolyl)>-4-thiazolylacetic acid 
• 137813-13-9 Ethyl 2-<4-(1-phenyl-3-methylpyrazolyl)>-4-thiazolylacetate hydrochloride 
• 194543-23-2 5-(N-methoxycarbonylamino)-4-cyano-3-methyl-1-phenyl-(1H)-pyrazole 

Relevant articles and documents

Crystal structure, IR spectroscopic and optical properties of the two (C11N4H10)4·H2O and (C11N4H10)2·H2O compounds

The crystallization of (C11N4H10)2·H2O (I) and (C11N4H10)4·H2O (II) is made by slow evaporation from aqueous solutions. The structures of these c

Synthesis and in silico docking of new pyrazolo[4,3-e]pyrido[1,2-a]pyrimidine-based cytotoxic agents

To explore a new set of anticancer agents, a novel series of pyrazolo[4,3-e]pyrido[1,2-a]pyrimidine derivativeshave been designed and synthesized viacyclocondensation reactions of pyrazolo-enaminone with a series of arylidenemalononitriles; compound 5 was

New pyrazolo-triazolo-pyrimidine derivatives as antibacterial agents: Design and synthesis, molecular docking and DFT studies

A new series of antibacterial pyrazolo-triazolo-pyrimidine derivatives 3a-3i were synthesized in two steps starting from aminopyrazole 1 and characterized by 1H NMR 13C NMR and HRES-MS. Their molecular geometry are also calculated by the Density Functional Theory (DFT) employing B3LYP level with 6-311G (d,p) basis set. All the synthesized compounds were tested for in vitro antibacterial activity against a panel of selected bacterial strains, by application of the Disc-Diffusion and MIC assays, using gentamicin as standard. The interactions of these compounds with the bacteria Pseudomonas aeruginosa (LasR) were performed by molecular docking studies.