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

C25H25N5O3S — CID 52951863

IUPAC1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea
SMILESNS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)Nc3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C25H25N5O3S/c26-34(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/h1-6,8-11,13-16,18H,7,12,17H2,(H2,26,32,33)(H2,27,28,31)
InChIKeyNLNVQIRPUYBKLP-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.94
Rot. Bonds8

About 1-phenyl-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 52951863) has the molecular formula C25H25N5O3S and a molecular weight of 475.57 g/mol. Its IUPAC name is 1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea
PubChem CID52951863
Molecular FormulaC25H25N5O3S
Molecular Weight475.57 g/mol
Exact Mass475.17
IUPAC Name1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea
SMILESNS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)Nc3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C25H25N5O3S/c26-34(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/h1-6,8-11,13-16,18H,7,12,17H2,(H2,26,32,33)(H2,27,28,31)
InChIKeyNLNVQIRPUYBKLP-UHFFFAOYSA-N
XLogP3.94
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea?
The IUPAC name of 1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea (CID 52951863) is 1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea.
What is the SMILES notation for 1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea?
The canonical SMILES for 1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea is NS(=O)(=O)c1ccc(-n2nc(CCCNC(=O)Nc3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea?
The InChIKey is NLNVQIRPUYBKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3S/c26-34(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/h1-6,8-11,13-16,18H,7,12,17H2,(H2,26,32,33)(H2,27,28,31).
What are the key properties of 1-phenyl-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 475.57 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]propyl]urea is sourced from PubChem (CID 52951863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).