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

C23H27N5O4S — CID 155513070

IUPACN-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCCCN3CCOCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H27N5O4S/c24-33(30,31)20-9-7-19(8-10-20)28-22(18-5-2-1-3-6-18)17-21(26-28)23(29)25-11-4-12-27-13-15-32-16-14-27/h1-3,5-10,17H,4,11-16H2,(H,25,29)(H2,24,30,31)
InChIKeyJVYWGVMKPCYLNB-UHFFFAOYSA-N
MW469.57 g/mol
LogP1.64
Rot. Bonds8

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

N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 155513070) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID155513070
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCCCN3CCOCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H27N5O4S/c24-33(30,31)20-9-7-19(8-10-20)28-22(18-5-2-1-3-6-18)17-21(26-28)23(29)25-11-4-12-27-13-15-32-16-14-27/h1-3,5-10,17H,4,11-16H2,(H,25,29)(H2,24,30,31)
InChIKeyJVYWGVMKPCYLNB-UHFFFAOYSA-N
XLogP1.64
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 155513070) is N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)NCCCN3CCOCC3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is JVYWGVMKPCYLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c24-33(30,31)20-9-7-19(8-10-20)28-22(18-5-2-1-3-6-18)17-21(26-28)23(29)25-11-4-12-27-13-15-32-16-14-27/h1-3,5-10,17H,4,11-16H2,(H,25,29)(H2,24,30,31).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 155513070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).