1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid

C7H11N3O4S — CID 66125014

IUPAC1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid
SMILESCCn1nc(C)c(S(N)(=O)=O)c1C(=O)O
InChIInChI=1S/C7H11N3O4S/c1-3-10-5(7(11)12)6(4(2)9-10)15(8,13)14/h3H2,1-2H3,(H,11,12)(H2,8,13,14)
InChIKeyVQJDVFBHWHANTI-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.44
Rot. Bonds3

About 1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid

1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid (PubChem CID 66125014) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid
PubChem CID66125014
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid
SMILESCCn1nc(C)c(S(N)(=O)=O)c1C(=O)O
InChIInChI=1S/C7H11N3O4S/c1-3-10-5(7(11)12)6(4(2)9-10)15(8,13)14/h3H2,1-2H3,(H,11,12)(H2,8,13,14)
InChIKeyVQJDVFBHWHANTI-UHFFFAOYSA-N
XLogP-0.44
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid?
The IUPAC name of 1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid (CID 66125014) is 1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid is CCn1nc(C)c(S(N)(=O)=O)c1C(=O)O.
What is the InChIKey of 1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid?
The InChIKey is VQJDVFBHWHANTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-3-10-5(7(11)12)6(4(2)9-10)15(8,13)14/h3H2,1-2H3,(H,11,12)(H2,8,13,14).
What are the key properties of 1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid?
1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid has a molecular weight of 233.25 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-4-sulfamoylpyrazole-5-carboxylic acid is sourced from PubChem (CID 66125014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).