ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate

C7H11N3O4S — CID 13364389

IUPACethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1S(N)(=O)=O
InChIInChI=1S/C7H11N3O4S/c1-3-14-7(11)5-4-9-10(2)6(5)15(8,12)13/h4H,3H2,1-2H3,(H2,8,12,13)
InChIKeyICDLJCWXRUNUNO-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.76
Rot. Bonds3

About ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate

ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate (PubChem CID 13364389) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate
PubChem CID13364389
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Nameethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1S(N)(=O)=O
InChIInChI=1S/C7H11N3O4S/c1-3-14-7(11)5-4-9-10(2)6(5)15(8,12)13/h4H,3H2,1-2H3,(H2,8,12,13)
InChIKeyICDLJCWXRUNUNO-UHFFFAOYSA-N
XLogP-0.76
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate (CID 13364389) is ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1S(N)(=O)=O.
What is the InChIKey of ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate?
The InChIKey is ICDLJCWXRUNUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-3-14-7(11)5-4-9-10(2)6(5)15(8,12)13/h4H,3H2,1-2H3,(H2,8,12,13).
What are the key properties of ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate?
ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate has a molecular weight of 233.25 g/mol, XLogP of -0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-sulfamoylpyrazole-4-carboxylate is sourced from PubChem (CID 13364389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).