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

C22H25N5O3S — CID 162663050

IUPAC1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea
SMILESNS(=O)(=O)c1ccc(-n2nc(NC(=O)NC3CCCCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H25N5O3S/c23-31(29,30)19-13-11-18(12-14-19)27-20(16-7-3-1-4-8-16)15-21(26-27)25-22(28)24-17-9-5-2-6-10-17/h1,3-4,7-8,11-15,17H,2,5-6,9-10H2,(H2,23,29,30)(H2,24,25,26,28)
InChIKeyODKUJIHEBPCFNC-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.64
Rot. Bonds5

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

1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea (PubChem CID 162663050) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea
PubChem CID162663050
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea
SMILESNS(=O)(=O)c1ccc(-n2nc(NC(=O)NC3CCCCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H25N5O3S/c23-31(29,30)19-13-11-18(12-14-19)27-20(16-7-3-1-4-8-16)15-21(26-27)25-22(28)24-17-9-5-2-6-10-17/h1,3-4,7-8,11-15,17H,2,5-6,9-10H2,(H2,23,29,30)(H2,24,25,26,28)
InChIKeyODKUJIHEBPCFNC-UHFFFAOYSA-N
XLogP3.64
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea (CID 162663050) is 1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea is NS(=O)(=O)c1ccc(-n2nc(NC(=O)NC3CCCCC3)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea?
The InChIKey is ODKUJIHEBPCFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c23-31(29,30)19-13-11-18(12-14-19)27-20(16-7-3-1-4-8-16)15-21(26-27)25-22(28)24-17-9-5-2-6-10-17/h1,3-4,7-8,11-15,17H,2,5-6,9-10H2,(H2,23,29,30)(H2,24,25,26,28).
What are the key properties of 1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea?
1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea has a molecular weight of 439.54 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]urea is sourced from PubChem (CID 162663050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).