100537-55-1

Basic information

• Product Name: 5-(2-FURYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
• Synonyms: 5-(2-FURYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID;5-(Fur-2-yl)-1-phenyl-1H-pyrazole-3-carboxylic acid;1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-1-phenyl-
• CAS NO: 100537-55-1
• Molecular Formula: C₁₄H₁₀N₂O₃
• Molecular Weight: 254.24
• Mol File: 100537-55-1.mol

Chemical Properties

• Melting Point: 166 °C
• Boiling Point: 475.1 °C at 760 mmHg
• Flash Point: 241.1 °C
• Appearance: /
• Density: 1.34 g/cm³
• Vapor Pressure: 7.82E-10mmHg at 25°C
• Refractive Index: 1.656
• PKA: 3.86±0.10(Predicted)
• CAS DataBase Reference: 5-(2-FURYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(2-FURYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID(100537-55-1)
• EPA Substance Registry System: 5-(2-FURYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID(100537-55-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 100537-55-1(Hazardous Substances Data)

Usage

Uses

Used in Medicinal Chemistry:
5-(2-Furyl)-1-phenyl-1H-pyrazole-3-carboxylic acid is used as a building block for the development of new pharmaceuticals due to its potential to interact with biological targets, which can be leveraged to create compounds with therapeutic effects.
Used in Drug Development:
In the pharmaceutical industry, 5-(2-Furyl)-1-phenyl-1H-pyrazole-3-carboxylic acid is utilized as a key intermediate in the synthesis of drugs, particularly those targeting specific biological pathways or receptors, owing to its structural diversity and chemical reactivity.
Used in Research and Development:
5-(2-Furyl)-1-phenyl-1H-pyrazole-3-carboxylic acid serves as a valuable compound in academic and industrial research settings, where it is employed to study its interactions with biological systems and to explore its potential applications in various therapeutic areas.

InChI:InChI=1/C14H10N2O3/c17-14(18)11-9-12(13-7-4-8-19-13)16(15-11)10-5-2-1-3-6-10/h1-9H,(H,17,18)

Upstream product

• 104295-62-7 5-ethoxycarbonyl-3-(2-furyl)-1-methylpyrazole 
• 1192-62-7 1-(2-furyl)-1-ethanone 
• 34020-22-9 ethyl 5-(furan-2-yl)-1H-pyrazole-3-carboxylate 
• 36983-35-4 ethyl 4-(furan-2-yl)-2,4-dioxobutyrate 
• 101351-11-5 3-ethoxycarbonyl-5-(2-furyl)-1-phenylpyrazole 
• 100-63-0 phenylhydrazine 

Downstream Products

• 106166-52-3 5-[2]furyl-1-phenyl-1H-pyrazole 
• 1105633-39-3 C₂₁H₁₇N₃O₂ 

Relevant articles and documents

Synthesis, nematicidal activity and docking study of novel chromone derivatives containing substituted pyrazole

A series of chromone derivatives containing substituted pyrazole were designed and synthesized. Preliminary bioassays showed that most of the synthesized compounds exhibited good nematicidal activity in vivo against Meloidogyne incognita at 10 mg/L. Among the tested compounds, A10 and A11 exhibited 100% inhibition rates. In addition, the molecular docking results indicated that both compound A10 and A11 interacts with amino acid residue Tyr121, Trp279, Tyr70, Trp84 and Phe330 of AChE via hydrogen bond and π–π stacking. This investigation suggested that the chromone containing substituted pyrazole scaffold could be further optimized to explore novel, high-bioactivity nematicidal leads.