1-(1-adamantyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-(4-methylphenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea

C106H120N20O12S4 — CID 164988573

About 1-(1-adamantyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-(4-methylphenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea

1-(1-adamantyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-(4-methylphenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea (PubChem CID 164988573) has the molecular formula C106H120N20O12S4 and a molecular weight of 1994.52 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-(4-methylphenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea.

Molecular Properties

• Compound Name: 1-(1-adamantyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-(4-methylphenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea
• PubChem CID: 164988573
• Molecular Formula: C106H120N20O12S4
• Molecular Weight: 1994.52 g/mol
• Exact Mass: 1992.83
• IUPAC Name: 1-(1-adamantyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-(4-methylphenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea
• SMILES: Cc1ccc(NC(=O)NCCCc2cc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1.NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)NC34CC5CC(CC(C5)C3)C4)cc2-c2ccccc2)cc1.NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)NC3CCCCCC3)cc2-c2ccccc2)cc1.NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)Nc3ccccc3)cc2-c2ccccc2)cc1
• InChI: InChI=1S/C29H35N5O3S.C26H27N5O3S.C26H33N5O3S.C25H25N5O3S/c30-38(36,37)26-10-8-25(9-11-26)34-27(23-5-2-1-3-6-23)16-24(33-34)7-4-12-31-28(35)32-29-17-20-13-21(18-29)15-22(14-20)19-29;1-19-9-11-21(12-10-19)29-26(32)28-17-5-8-22-18-25(20-6-3-2-4-7-20)31(30-22)23-13-15-24(16-14-23)35(27,33)34;27-35(33,34)24-16-14-23(15-17-24)31-25(20-9-4-3-5-10-20)19-22(30-31)13-8-18-28-26(32)29-21-11-6-1-2-7-12-21;26-34(32,33)23-15-13-22(14-16-23)30-24(19-8-3-1-4-9-19)18-21(29-30)12-7-17-27-25(31)28-20-10-5-2-6-11-20/h1-3,5-6,8-11,16,20-22H,4,7,12-15,17-19H2,(H2,30,36,37)(H2,31,32,35);2-4,6-7,9-16,18H,5,8,17H2,1H3,(H2,27,33,34)(H2,28,29,32);3-5,9-10,14-17,19,21H,1-2,6-8,11-13,18H2,(H2,27,33,34)(H2,28,29,32);1-6,8-11,13-16,18H,7,12,17H2,(H2,26,32,33)(H2,27,28,31)
• InChIKey: GNEIJVLXFUQOBC-UHFFFAOYSA-N
• XLogP: 16.72
• TPSA: 476.44 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1994.52
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(1-adamantyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-(4-methylphenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea (CID 164988573) is 1-(1-adamantyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-(4-methylphenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea.

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

The canonical SMILES for 1-(1-adamantyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-(4-methylphenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea is Cc1ccc(NC(=O)NCCCc2cc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1.NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)NC34CC5CC(CC(C5)C3)C4)cc2-c2ccccc2)cc1.NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)NC3CCCCCC3)cc2-c2ccccc2)cc1.NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)Nc3ccccc3)cc2-c2ccccc2)cc1.

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

The InChIKey is GNEIJVLXFUQOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3S.C26H27N5O3S.C26H33N5O3S.C25H25N5O3S/c30-38(36,37)26-10-8-25(9-11-26)34-27(23-5-2-1-3-6-23)16-24(33-34)7-4-12-31-28(35)32-29-17-20-13-21(18-29)15-22(14-20)19-29;1-19-9-11-21(12-10-19)29-26(32)28-17-5-8-22-18-25(20-6-3-2-4-7-20)31(30-22)23-13-15-24(16-14-23)35(27,33)34;27-35(33,34)24-16-14-23(15-17-24)31-25(20-9-4-3-5-10-20)19-22(30-31)13-8-18-28-26(32)29-21-11-6-1-2-7-12-21;26-34(32,33)23-15-13-22(14-16-23)30-24(19-8-3-1-4-9-19)18-21(29-30)12-7-17-27-25(31)28-20-10-5-2-6-11-20/h1-3,5-6,8-11,16,20-22H,4,7,12-15,17-19H2,(H2,30,36,37)(H2,31,32,35);2-4,6-7,9-16,18H,5,8,17H2,1H3,(H2,27,33,34)(H2,28,29,32);3-5,9-10,14-17,19,21H,1-2,6-8,11-13,18H2,(H2,27,33,34)(H2,28,29,32);1-6,8-11,13-16,18H,7,12,17H2,(H2,26,32,33)(H2,27,28,31).

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

1-(1-adamantyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-(4-methylphenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea has a molecular weight of 1994.52 g/mol, XLogP of 16.72, 32 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-adamantyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-cycloheptyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-(4-methylphenyl)-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea;1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea is sourced from PubChem (CID 164988573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).