1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester

Base Information

• Chemical Name: 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
• CAS No.: 104907-81-5
• Molecular Formula: C16H16 N4 O3
• Molecular Weight: 312.3232
• DSSTox Substance ID: DTXSID00146831
• Nikkaji Number: J482.977H
• Wikidata: Q83011723
• Mol file: 104907-81-5.mol

Synonyms:1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester;Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-methyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester, monohydrate;104907-81-5;C16H16N4O3.H2O;DTXSID00146831;C16-H16-N4-O3.H2-O;LS-128316;1-Methyl-5-[[2-methyl-3,4-dihydro-4-oxoquinazolin]-3-yl]-1H-pyrazole-4-carboxylic acid ethyl ester

Chemical Property of 1H-Pyrazole-4-carboxylic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester

Chemical Property:

• Vapor Pressure: 2.78E-10mmHg at 25°C
• Boiling Point: 503.9°Cat760mmHg
• Flash Point: 258.6°C
• Density: 1.33g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 312.12224039
• Heavy Atom Count: 23
• Complexity: 522

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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