5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid

C7H11N3O4S — CID 122673465

IUPAC5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid
SMILESCN(C)S(=O)(=O)c1c(C(=O)O)cnn1C
InChIInChI=1S/C7H11N3O4S/c1-9(2)15(13,14)6-5(7(11)12)4-8-10(6)3/h4H,1-3H3,(H,11,12)
InChIKeyGSFKGQQNCHEUIS-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.63
Rot. Bonds3

About 5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid

5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 122673465) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID122673465
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid
SMILESCN(C)S(=O)(=O)c1c(C(=O)O)cnn1C
InChIInChI=1S/C7H11N3O4S/c1-9(2)15(13,14)6-5(7(11)12)4-8-10(6)3/h4H,1-3H3,(H,11,12)
InChIKeyGSFKGQQNCHEUIS-UHFFFAOYSA-N
XLogP-0.63
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid (CID 122673465) is 5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid is CN(C)S(=O)(=O)c1c(C(=O)O)cnn1C.
What is the InChIKey of 5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is GSFKGQQNCHEUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-9(2)15(13,14)6-5(7(11)12)4-8-10(6)3/h4H,1-3H3,(H,11,12).
What are the key properties of 5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid?
5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 233.25 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 122673465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).