1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid

C11H12N4O4S — CID 3075393

IUPAC1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid
SMILESCN(c1cccnc1)S(=O)(=O)c1nn(C)cc1C(=O)O
InChIInChI=1S/C11H12N4O4S/c1-14-7-9(11(16)17)10(13-14)20(18,19)15(2)8-4-3-5-12-6-8/h3-7H,1-2H3,(H,16,17)
InChIKeyBAFJKCZCPKPQQN-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.34
Rot. Bonds4

About 1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid

1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid (PubChem CID 3075393) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid
PubChem CID3075393
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid
SMILESCN(c1cccnc1)S(=O)(=O)c1nn(C)cc1C(=O)O
InChIInChI=1S/C11H12N4O4S/c1-14-7-9(11(16)17)10(13-14)20(18,19)15(2)8-4-3-5-12-6-8/h3-7H,1-2H3,(H,16,17)
InChIKeyBAFJKCZCPKPQQN-UHFFFAOYSA-N
XLogP0.34
TPSA105.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid (CID 3075393) is 1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid is CN(c1cccnc1)S(=O)(=O)c1nn(C)cc1C(=O)O.
What is the InChIKey of 1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid?
The InChIKey is BAFJKCZCPKPQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-14-7-9(11(16)17)10(13-14)20(18,19)15(2)8-4-3-5-12-6-8/h3-7H,1-2H3,(H,16,17).
What are the key properties of 1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid?
1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid has a molecular weight of 296.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 3075393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).