1H-Pyrazole-4-carboxylic acid, 1-methyl-3-((methyl-3-pyridinylamino)sulfonyl)-, ethyl ester

Base Information

• Chemical Name: 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-((methyl-3-pyridinylamino)sulfonyl)-, ethyl ester
• CAS No.: 178879-98-6
• Molecular Formula: C13H16 N4 O4 S
• Molecular Weight: 324.36
• DSSTox Substance ID: DTXSID40170599
• Nikkaji Number: J762.281C
• Wikidata: Q83040520
• Mol file: 178879-98-6.mol

Synonyms:178879-98-6;1H-Pyrazole-4-carboxylic acid, 1-methyl-3-((methyl-3-pyridinylamino)sulfonyl)-, ethyl ester;Ethyl 1-methyl-3-(N-methyl-N-3'-pyridyl)sulfamoylpyrazole-4-carboxylate;ethyl 1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylate;Ethyl 1-methyl-3-((methyl-3-pyridinylamino)sulfonyl)-1H-pyrazole-4-carboxylate;ethyl 1-methyl-3-(methylpyridin-3-ylsulfamoyl)pyrazole-4-carboxylate;DTXSID40170599;WEDRPWBCHPXYQQ-UHFFFAOYSA-N;LS-128348;1-Methyl-3-[methyl(3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester

Chemical Property of 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-((methyl-3-pyridinylamino)sulfonyl)-, ethyl ester

Chemical Property:

• Vapor Pressure: 9.62E-11mmHg at 25°C
• Boiling Point: 515.7°C at 760 mmHg
• PKA: 1.47±0.10(Predicted)
• Flash Point: 265.7°C
• PSA: 102.77000
• Density: 1.36g/cm³
• LogP: 1.89770
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 324.08922618
• Heavy Atom Count: 22
• Complexity: 493

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN(N=C1S(=O)(=O)N(C)C2=CN=CC=C2)C