ethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate

C17H19N3O5S — CID 134002950

IUPACethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C17H19N3O5S/c1-4-24-17(21)13-10-18-19-16(13)26(22,23)20(3)11(2)15-9-12-7-5-6-8-14(12)25-15/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyXIMLQAQPERVKTG-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.71
Rot. Bonds6

About ethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 134002950) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is ethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID134002950
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Nameethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C17H19N3O5S/c1-4-24-17(21)13-10-18-19-16(13)26(22,23)20(3)11(2)15-9-12-7-5-6-8-14(12)25-15/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyXIMLQAQPERVKTG-UHFFFAOYSA-N
XLogP2.71
TPSA105.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate (CID 134002950) is ethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)N(C)C(C)c1cc2ccccc2o1.
What is the InChIKey of ethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is XIMLQAQPERVKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-4-24-17(21)13-10-18-19-16(13)26(22,23)20(3)11(2)15-9-12-7-5-6-8-14(12)25-15/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of ethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 134002950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).