ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate

C6H9N3O4S — CID 3024591

IUPACethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(N)(=O)=O
InChIInChI=1S/C6H9N3O4S/c1-2-13-6(10)4-3-8-9-5(4)14(7,11)12/h3H,2H2,1H3,(H,8,9)(H2,7,11,12)
InChIKeyDRGFACPVELPILD-UHFFFAOYSA-N
MW219.22 g/mol
LogP-0.77
Rot. Bonds3

About ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate

ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate (PubChem CID 3024591) has the molecular formula C6H9N3O4S and a molecular weight of 219.22 g/mol. Its IUPAC name is ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate
PubChem CID3024591
Molecular FormulaC6H9N3O4S
Molecular Weight219.22 g/mol
Exact Mass219.03
IUPAC Nameethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(N)(=O)=O
InChIInChI=1S/C6H9N3O4S/c1-2-13-6(10)4-3-8-9-5(4)14(7,11)12/h3H,2H2,1H3,(H,8,9)(H2,7,11,12)
InChIKeyDRGFACPVELPILD-UHFFFAOYSA-N
XLogP-0.77
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate (CID 3024591) is ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(N)(=O)=O.
What is the InChIKey of ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate?
The InChIKey is DRGFACPVELPILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4S/c1-2-13-6(10)4-3-8-9-5(4)14(7,11)12/h3H,2H2,1H3,(H,8,9)(H2,7,11,12).
What are the key properties of ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate?
ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate has a molecular weight of 219.22 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-sulfamoyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 3024591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).