ethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate

C11H12N4O5S — CID 47088907

IUPACethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C11H12N4O5S/c1-2-20-11(17)7-6-13-14-10(7)21(18,19)15-8-4-3-5-12-9(8)16/h3-6,15H,2H2,1H3,(H,12,16)(H,13,14)
InChIKeyFIHUEOZLKVBRRC-UHFFFAOYSA-N
MW312.31 g/mol
LogP0.08
Rot. Bonds5

About ethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 47088907) has the molecular formula C11H12N4O5S and a molecular weight of 312.31 g/mol. Its IUPAC name is ethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID47088907
Molecular FormulaC11H12N4O5S
Molecular Weight312.31 g/mol
Exact Mass312.05
IUPAC Nameethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C11H12N4O5S/c1-2-20-11(17)7-6-13-14-10(7)21(18,19)15-8-4-3-5-12-9(8)16/h3-6,15H,2H2,1H3,(H,12,16)(H,13,14)
InChIKeyFIHUEOZLKVBRRC-UHFFFAOYSA-N
XLogP0.08
TPSA134.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 47088907) is ethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccc[nH]c1=O.
What is the InChIKey of ethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is FIHUEOZLKVBRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5S/c1-2-20-11(17)7-6-13-14-10(7)21(18,19)15-8-4-3-5-12-9(8)16/h3-6,15H,2H2,1H3,(H,12,16)(H,13,14).
What are the key properties of ethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 312.31 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-oxo-1H-pyridin-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 47088907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).