ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate

C11H17N3O5S — CID 60911937

IUPACethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C11H17N3O5S/c1-2-19-11(15)9-7-12-13-10(9)20(16,17)14-8-3-5-18-6-4-8/h7-8,14H,2-6H2,1H3,(H,12,13)
InChIKeyHLJHLSSJNWBPGH-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.04
Rot. Bonds5

About ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate

ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 60911937) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID60911937
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Nameethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C11H17N3O5S/c1-2-19-11(15)9-7-12-13-10(9)20(16,17)14-8-3-5-18-6-4-8/h7-8,14H,2-6H2,1H3,(H,12,13)
InChIKeyHLJHLSSJNWBPGH-UHFFFAOYSA-N
XLogP0.04
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713502
ethyl 5-(pyrrolidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119966905
ethyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119967799
ethyl 5-(piperidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119964205
ethyl 5-[(3-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60912054
ethyl 5-[(2-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 120586131
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-(2-cyclopropylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 103835883
ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 112672393
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652
5-methyl-N-(oxan-4-yl)-1H-pyrazole-4-sulfonamide
CID 60910848
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 60911937) is ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NC1CCOCC1.
What is the InChIKey of ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is HLJHLSSJNWBPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-2-19-11(15)9-7-12-13-10(9)20(16,17)14-8-3-5-18-6-4-8/h7-8,14H,2-6H2,1H3,(H,12,13).
What are the key properties of ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 303.34 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 60911937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).