1H-Pyrazole-4-carboxylic acid, 1-methyl-3-((methyl-2-pyridinylamino)sulfonyl)-

Substructure search Find similar structures

Basic information

CAS: 178880-03-0
Standard SMILES: CN(c1ccccn1)S(=O)(=O)c1nn(C)cc1C(=O)O
InChIKey: QXKZBCHWJLOEFP-UHFFFAOYSA-N
Molecular formula: C11H12N4O4S
Average molar mass: 296.3 g/mol
Monoisotopic mass: 296.05792605

Names & identifiers

Preferred name: 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-((methyl-2-pyridinylamino)sulfonyl)-
IUPAC: 1-methyl-3-[methyl(pyridin-2-yl)sulfamoyl]pyrazole-4-carboxylic acid
English name: 1-methyl-3-(methyl-pyridin-2-yl-sulfamoyl)pyrazole-4-carboxylic acid
Molecular formula: C11H12N4O4S
Molecular weight: 0

Names & synonyms

178880-03-01H-Pyrazole-4-carboxylic acid, 1-methyl-3-((methyl-2-pyridinylamino)sulfonyl)-1-Methyl-3-(N-methyl-N-2'-pyridyl)sulfamoylpyrazole-4-carboxylic acidDTXSID101706021-Methyl-3-((methyl-2-pyridinylamino)sulfonyl)-1H-pyrazole-4-carboxylic acidRefChem:240019DTXCID60930931-Methyl-3-(N-methyl-N-(pyridin-2-yl)sulfamoyl)-1H-pyrazole-4-carboxylic acid1-methyl-3-[methyl(pyridin-2-yl)sulfamoyl]pyrazole-4-carboxylic acid1-methyl-3-(methylpyridin-2-ylsulfamoyl)pyrazole-4-carboxylic acid1-methyl-3-[methyl(pyridin-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid1-methyl-3-(methyl-pyridin-2-yl-sulfamoyl)pyrazole-4-carboxylic acid

Database identifiers

CAS: 178880-03-0
PubChem CID: 3075397
DTXSID: DTXSID10170602
Nikkaji: J762.286D

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 114 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 464

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…