1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea

C25H24ClN5O3S — CID 52951866

About 1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea

1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea (PubChem CID 52951866) has the molecular formula C25H24ClN5O3S and a molecular weight of 510.02 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea
• PubChem CID: 52951866
• Molecular Formula: C25H24ClN5O3S
• Molecular Weight: 510.02 g/mol
• Exact Mass: 509.13
• IUPAC Name: 1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea
• SMILES: NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)Nc3ccc(Cl)cc3)cc2-c2ccccc2)cc1
• InChI: InChI=1S/C25H24ClN5O3S/c26-19-8-10-20(11-9-19)29-25(32)28-16-4-7-21-17-24(18-5-2-1-3-6-18)31(30-21)22-12-14-23(15-13-22)35(27,33)34/h1-3,5-6,8-15,17H,4,7,16H2,(H2,27,33,34)(H2,28,29,32)
• InChIKey: JZURNDJEQHFENW-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 119.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.02
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea?

The IUPAC name of 1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea (CID 52951866) is 1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea.

What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea?

The canonical SMILES for 1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea is NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)Nc3ccc(Cl)cc3)cc2-c2ccccc2)cc1.

What is the InChIKey of 1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea?

The InChIKey is JZURNDJEQHFENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O3S/c26-19-8-10-20(11-9-19)29-25(32)28-16-4-7-21-17-24(18-5-2-1-3-6-18)31(30-21)22-12-14-23(15-13-22)35(27,33)34/h1-3,5-6,8-15,17H,4,7,16H2,(H2,27,33,34)(H2,28,29,32).

What are the key properties of 1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea?

1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea has a molecular weight of 510.02 g/mol, XLogP of 4.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea is sourced from PubChem (CID 52951866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).