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

C24H20F3N5O3S — CID 52951613

IUPAC1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESNS(=O)(=O)c1ccc(-n2nc(CNC(=O)Nc3cccc(C(F)(F)F)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C24H20F3N5O3S/c25-24(26,27)17-7-4-8-18(13-17)30-23(33)29-15-19-14-22(16-5-2-1-3-6-16)32(31-19)20-9-11-21(12-10-20)36(28,34)35/h1-14H,15H2,(H2,28,34,35)(H2,29,30,33)
InChIKeyIPBAGVOSINAMJY-UHFFFAOYSA-N
MW515.52 g/mol
LogP4.53
Rot. Bonds6

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

1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 52951613) has the molecular formula C24H20F3N5O3S and a molecular weight of 515.52 g/mol. Its IUPAC name is 1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID52951613
Molecular FormulaC24H20F3N5O3S
Molecular Weight515.52 g/mol
Exact Mass515.12
IUPAC Name1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESNS(=O)(=O)c1ccc(-n2nc(CNC(=O)Nc3cccc(C(F)(F)F)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C24H20F3N5O3S/c25-24(26,27)17-7-4-8-18(13-17)30-23(33)29-15-19-14-22(16-5-2-1-3-6-16)32(31-19)20-9-11-21(12-10-20)36(28,34)35/h1-14H,15H2,(H2,28,34,35)(H2,29,30,33)
InChIKeyIPBAGVOSINAMJY-UHFFFAOYSA-N
XLogP4.53
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.52
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 52951613) is 1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea is NS(=O)(=O)c1ccc(-n2nc(CNC(=O)Nc3cccc(C(F)(F)F)c3)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is IPBAGVOSINAMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3S/c25-24(26,27)17-7-4-8-18(13-17)30-23(33)29-15-19-14-22(16-5-2-1-3-6-16)32(31-19)20-9-11-21(12-10-20)36(28,34)35/h1-14H,15H2,(H2,28,34,35)(H2,29,30,33).
What are the key properties of 1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 515.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 52951613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).