1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester

Base Information

• Chemical Name: 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester
• CAS No.: 160662-09-9
• Molecular Formula: C16H16 N4 O3
• Molecular Weight: 312.3232
• DSSTox Substance ID: DTXSID50166963
• Nikkaji Number: J611.728G
• Wikidata: Q83036258
• Mol file: 160662-09-9.mol

Synonyms:Ethyl 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-1H-pyrazole-4-acetate;1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester;160662-09-9;DTXSID50166963;LS-127971;1-Methyl-5-[4-oxoquinazolin-3(4H)-yl]-1H-pyrazole-4-acetic acid ethyl ester

Chemical Property of 1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester

Chemical Property:

• Vapor Pressure: 3.56E-10mmHg at 25°C
• Boiling Point: 501.2°Cat760mmHg
• PKA: 1.87±0.10(Predicted)
• Flash Point: 256.9°C
• PSA: 79.01000
• Density: 1.32g/cm³
• LogP: 1.22480
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 312.12224039
• Heavy Atom Count: 23
• Complexity: 496

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(N(N=C1)C)N2C=NC3=CC=CC=C3C2=O