ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate

C11H19N3O4S — CID 60713518

IUPACethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC(C)(C)CC
InChIInChI=1S/C11H19N3O4S/c1-5-11(3,4)14-19(16,17)9-8(7-12-13-9)10(15)18-6-2/h7,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyDQFDGOWESPQBIF-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.05
Rot. Bonds6

About ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate

ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 60713518) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID60713518
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Nameethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NC(C)(C)CC
InChIInChI=1S/C11H19N3O4S/c1-5-11(3,4)14-19(16,17)9-8(7-12-13-9)10(15)18-6-2/h7,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyDQFDGOWESPQBIF-UHFFFAOYSA-N
XLogP1.05
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 60713518) is ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NC(C)(C)CC.
What is the InChIKey of ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is DQFDGOWESPQBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-5-11(3,4)14-19(16,17)9-8(7-12-13-9)10(15)18-6-2/h7,14H,5-6H2,1-4H3,(H,12,13).
What are the key properties of ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 60713518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).