3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid

C7H11N3O4S — CID 62033307

IUPAC3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N(C)C)c1C(=O)O
InChIInChI=1S/C7H11N3O4S/c1-4-5(7(11)12)6(9-8-4)15(13,14)10(2)3/h1-3H3,(H,8,9)(H,11,12)
InChIKeySSQUAZYLSQDEGS-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.33
Rot. Bonds3

About 3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid

3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid (PubChem CID 62033307) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid
PubChem CID62033307
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)N(C)C)c1C(=O)O
InChIInChI=1S/C7H11N3O4S/c1-4-5(7(11)12)6(9-8-4)15(13,14)10(2)3/h1-3H3,(H,8,9)(H,11,12)
InChIKeySSQUAZYLSQDEGS-UHFFFAOYSA-N
XLogP-0.33
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid (CID 62033307) is 3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid is Cc1[nH]nc(S(=O)(=O)N(C)C)c1C(=O)O.
What is the InChIKey of 3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is SSQUAZYLSQDEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-4-5(7(11)12)6(9-8-4)15(13,14)10(2)3/h1-3H3,(H,8,9)(H,11,12).
What are the key properties of 3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid?
3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 233.25 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-5-methyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 62033307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).