5-sulfamoyl-1H-pyrazole-4-carboxylic acid

C4H5N3O4S — CID 3075398

IUPAC5-sulfamoyl-1H-pyrazole-4-carboxylic acid
SMILESNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C4H5N3O4S/c5-12(10,11)3-2(4(8)9)1-6-7-3/h1H,(H,6,7)(H,8,9)(H2,5,10,11)
InChIKeyFTYKACFNSGUTDJ-UHFFFAOYSA-N
MW191.17 g/mol
LogP-1.24
Rot. Bonds2

About 5-sulfamoyl-1H-pyrazole-4-carboxylic acid

5-sulfamoyl-1H-pyrazole-4-carboxylic acid (PubChem CID 3075398) has the molecular formula C4H5N3O4S and a molecular weight of 191.17 g/mol. Its IUPAC name is 5-sulfamoyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-sulfamoyl-1H-pyrazole-4-carboxylic acid
PubChem CID3075398
Molecular FormulaC4H5N3O4S
Molecular Weight191.17 g/mol
Exact Mass191.00
IUPAC Name5-sulfamoyl-1H-pyrazole-4-carboxylic acid
SMILESNS(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C4H5N3O4S/c5-12(10,11)3-2(4(8)9)1-6-7-3/h1H,(H,6,7)(H,8,9)(H2,5,10,11)
InChIKeyFTYKACFNSGUTDJ-UHFFFAOYSA-N
XLogP-1.24
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-sulfamoyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-sulfamoyl-1H-pyrazole-4-carboxylic acid (CID 3075398) is 5-sulfamoyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-sulfamoyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-sulfamoyl-1H-pyrazole-4-carboxylic acid is NS(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-sulfamoyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is FTYKACFNSGUTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O4S/c5-12(10,11)3-2(4(8)9)1-6-7-3/h1H,(H,6,7)(H,8,9)(H2,5,10,11).
What are the key properties of 5-sulfamoyl-1H-pyrazole-4-carboxylic acid?
5-sulfamoyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 191.17 g/mol, XLogP of -1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfamoyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 3075398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).