3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

C23H26N4O5S — CID 155536282

IUPAC3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)OCCCN3CCOCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H26N4O5S/c24-33(29,30)20-9-7-19(8-10-20)27-22(18-5-2-1-3-6-18)17-21(25-27)23(28)32-14-4-11-26-12-15-31-16-13-26/h1-3,5-10,17H,4,11-16H2,(H2,24,29,30)
InChIKeyASIYVOPISGLSFB-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.07
Rot. Bonds8

About 3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate (PubChem CID 155536282) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Name3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
PubChem CID155536282
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)OCCCN3CCOCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H26N4O5S/c24-33(29,30)20-9-7-19(8-10-20)27-22(18-5-2-1-3-6-18)17-21(25-27)23(28)32-14-4-11-26-12-15-31-16-13-26/h1-3,5-10,17H,4,11-16H2,(H2,24,29,30)
InChIKeyASIYVOPISGLSFB-UHFFFAOYSA-N
XLogP2.07
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The IUPAC name of 3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate (CID 155536282) is 3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for 3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for 3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate is NS(=O)(=O)c1ccc(-n2nc(C(=O)OCCCN3CCOCC3)cc2-c2ccccc2)cc1.
What is the InChIKey of 3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The InChIKey is ASIYVOPISGLSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c24-33(29,30)20-9-7-19(8-10-20)27-22(18-5-2-1-3-6-18)17-21(25-27)23(28)32-14-4-11-26-12-15-31-16-13-26/h1-3,5-10,17H,4,11-16H2,(H2,24,29,30).
What are the key properties of 3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate has a molecular weight of 470.55 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpropyl 5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 155536282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).