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

C24H29N5O5S — CID 155542501

IUPAC5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H29N5O5S/c1-33-20-7-3-18(4-8-20)23-17-22(24(30)26-11-2-12-28-13-15-34-16-14-28)27-29(23)19-5-9-21(10-6-19)35(25,31)32/h3-10,17H,2,11-16H2,1H3,(H,26,30)(H2,25,31,32)
InChIKeyRPKVLAADGAFYKB-UHFFFAOYSA-N
MW499.59 g/mol
LogP1.65
Rot. Bonds9

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

5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 155542501) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID155542501
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC Name5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H29N5O5S/c1-33-20-7-3-18(4-8-20)23-17-22(24(30)26-11-2-12-28-13-15-34-16-14-28)27-29(23)19-5-9-21(10-6-19)35(25,31)32/h3-10,17H,2,11-16H2,1H3,(H,26,30)(H2,25,31,32)
InChIKeyRPKVLAADGAFYKB-UHFFFAOYSA-N
XLogP1.65
TPSA128.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 51.65
H-Bond Donors ≤ 52
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 5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 155542501) is 5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is RPKVLAADGAFYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-33-20-7-3-18(4-8-20)23-17-22(24(30)26-11-2-12-28-13-15-34-16-14-28)27-29(23)19-5-9-21(10-6-19)35(25,31)32/h3-10,17H,2,11-16H2,1H3,(H,26,30)(H2,25,31,32).
What are the key properties of 5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 155542501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).