ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate

C16H19N3O4S — CID 27651904

IUPACethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H19N3O4S/c1-2-23-16(20)13-10-17-18-15(13)24(21,22)19-14-9-5-7-11-6-3-4-8-12(11)14/h5,7,9-10,19H,2-4,6,8H2,1H3,(H,17,18)
InChIKeySXCRNYITJKMIEM-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.27
Rot. Bonds5

About ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate

ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 27651904) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID27651904
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Nameethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H19N3O4S/c1-2-23-16(20)13-10-17-18-15(13)24(21,22)19-14-9-5-7-11-6-3-4-8-12(11)14/h5,7,9-10,19H,2-4,6,8H2,1H3,(H,17,18)
InChIKeySXCRNYITJKMIEM-UHFFFAOYSA-N
XLogP2.27
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 27651904) is ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is SXCRNYITJKMIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-2-23-16(20)13-10-17-18-15(13)24(21,22)19-14-9-5-7-11-6-3-4-8-12(11)14/h5,7,9-10,19H,2-4,6,8H2,1H3,(H,17,18).
What are the key properties of ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 349.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5,6,7,8-tetrahydronaphthalen-1-ylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 27651904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).