5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid

C6H9N3O4S — CID 63840164

IUPAC5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid
SMILESCCc1[nH]nc(C(=O)O)c1S(N)(=O)=O
InChIInChI=1S/C6H9N3O4S/c1-2-3-5(14(7,12)13)4(6(10)11)9-8-3/h2H2,1H3,(H,8,9)(H,10,11)(H2,7,12,13)
InChIKeyVVFCOPFRXKDLNS-UHFFFAOYSA-N
MW219.22 g/mol
LogP-0.68
Rot. Bonds3

About 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid

5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid (PubChem CID 63840164) has the molecular formula C6H9N3O4S and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid
PubChem CID63840164
Molecular FormulaC6H9N3O4S
Molecular Weight219.22 g/mol
Exact Mass219.03
IUPAC Name5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid
SMILESCCc1[nH]nc(C(=O)O)c1S(N)(=O)=O
InChIInChI=1S/C6H9N3O4S/c1-2-3-5(14(7,12)13)4(6(10)11)9-8-3/h2H2,1H3,(H,8,9)(H,10,11)(H2,7,12,13)
InChIKeyVVFCOPFRXKDLNS-UHFFFAOYSA-N
XLogP-0.68
TPSA126.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid (CID 63840164) is 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid is CCc1[nH]nc(C(=O)O)c1S(N)(=O)=O.
What is the InChIKey of 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is VVFCOPFRXKDLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4S/c1-2-3-5(14(7,12)13)4(6(10)11)9-8-3/h2H2,1H3,(H,8,9)(H,10,11)(H2,7,12,13).
What are the key properties of 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid?
5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 219.22 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 63840164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).