ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate

C11H13N3O5S — CID 22579173

IUPACethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NCc2ccco2)[nH]n1
InChIInChI=1S/C11H13N3O5S/c1-2-18-11(15)9-6-10(14-13-9)20(16,17)12-7-8-4-3-5-19-8/h3-6,12H,2,7H2,1H3,(H,13,14)
InChIKeyORJBLUUQXVSDSO-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.66
Rot. Bonds6

About ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate

ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate (PubChem CID 22579173) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate
PubChem CID22579173
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Nameethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NCc2ccco2)[nH]n1
InChIInChI=1S/C11H13N3O5S/c1-2-18-11(15)9-6-10(14-13-9)20(16,17)12-7-8-4-3-5-19-8/h3-6,12H,2,7H2,1H3,(H,13,14)
InChIKeyORJBLUUQXVSDSO-UHFFFAOYSA-N
XLogP0.66
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(furan-2-ylmethylsulfamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53059249
ethyl 5-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propylsulfamoyl]-1H-pyrazole-3-carboxylate
CID 118368037
ethyl 5-[(3-fluoro-4-methylphenyl)sulfamoyl]-1H-pyrazole-3-carboxylate
CID 22579147
ethyl 2-(furan-2-ylmethylamino)-1,3-oxazole-4-carboxylate
CID 113377062
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
2-methylprop-2-enyl 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 18099904
[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550208
5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 934715
[2-(tert-butylamino)-2-oxoethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 55323321
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 56544048
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
ethyl 5-trimethylsilyl-1H-pyrazole-3-carboxylate
CID 11975148

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate (CID 22579173) is ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc(S(=O)(=O)NCc2ccco2)[nH]n1.
What is the InChIKey of ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate?
The InChIKey is ORJBLUUQXVSDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-2-18-11(15)9-6-10(14-13-9)20(16,17)12-7-8-4-3-5-19-8/h3-6,12H,2,7H2,1H3,(H,13,14).
What are the key properties of ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate?
ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate has a molecular weight of 299.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(furan-2-ylmethylsulfamoyl)-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 22579173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).