5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C12H13N3O4S — CID 62034752

IUPAC5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N(C)c2ccccc2)c1C(=O)O
InChIInChI=1S/C12H13N3O4S/c1-8-10(12(16)17)11(14-13-8)20(18,19)15(2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14)(H,16,17)
InChIKeyGSJJIIXFONUOBO-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.24
Rot. Bonds4

About 5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 62034752) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID62034752
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N(C)c2ccccc2)c1C(=O)O
InChIInChI=1S/C12H13N3O4S/c1-8-10(12(16)17)11(14-13-8)20(18,19)15(2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14)(H,16,17)
InChIKeyGSJJIIXFONUOBO-UHFFFAOYSA-N
XLogP1.24
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 62033307
3-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid
CID 114948660
5-methyl-3-[[2-(trifluoromethylsulfanyl)phenyl]methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 167925810
3,5-dimethyl-4-[methyl(pyridin-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 106934694
5-methyl-2-[methyl(phenyl)sulfamoyl]benzoic acid
CID 13394534
N-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]phenyl]acetamide
CID 113095048
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
CID 83532093
3-(4-ethylpiperidin-1-yl)sulfonyl-5-methyl-1H-pyrazole-4-carboxylic acid
CID 62034756
methyl 3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl-pyridin-2-ylsulfamoyl]-5-methyl-1H-pyrazole-4-carboxylate
CID 70472801
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 62034752) is 5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is Cc1[nH]nc(S(=O)(=O)N(C)c2ccccc2)c1C(=O)O.
What is the InChIKey of 5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is GSJJIIXFONUOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-8-10(12(16)17)11(14-13-8)20(18,19)15(2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62034752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).