ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate

C15H19N5O7S — CID 14577225

IUPACethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1cc(OC)cc(OC)n1
InChIInChI=1S/C15H19N5O7S/c1-5-27-14(21)10-8-16-20(2)13(10)28(23,24)19-15(22)18-11-6-9(25-3)7-12(17-11)26-4/h6-8H,5H2,1-4H3,(H2,17,18,19,22)
InChIKeyVQSITJSIDKGHFK-UHFFFAOYSA-N
MW413.41 g/mol
LogP0.52
Rot. Bonds7

About ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate

ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate (PubChem CID 14577225) has the molecular formula C15H19N5O7S and a molecular weight of 413.41 g/mol. Its IUPAC name is ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
PubChem CID14577225
Molecular FormulaC15H19N5O7S
Molecular Weight413.41 g/mol
Exact Mass413.10
IUPAC Nameethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1cc(OC)cc(OC)n1
InChIInChI=1S/C15H19N5O7S/c1-5-27-14(21)10-8-16-20(2)13(10)28(23,24)19-15(22)18-11-6-9(25-3)7-12(17-11)26-4/h6-8H,5H2,1-4H3,(H2,17,18,19,22)
InChIKeyVQSITJSIDKGHFK-UHFFFAOYSA-N
XLogP0.52
TPSA150.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate (CID 14577225) is ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1S(=O)(=O)NC(=O)Nc1cc(OC)cc(OC)n1.
What is the InChIKey of ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is VQSITJSIDKGHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O7S/c1-5-27-14(21)10-8-16-20(2)13(10)28(23,24)19-15(22)18-11-6-9(25-3)7-12(17-11)26-4/h6-8H,5H2,1-4H3,(H2,17,18,19,22).
What are the key properties of ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 413.41 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4,6-dimethoxy-2-pyridinyl)carbamoylsulfamoyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 14577225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).