N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide

C29H33N3O2S — CID 56680214

IUPACN-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccccc3)n[nH]c2Cc2ccccc2)cc1
InChIInChI=1S/C29H33N3O2S/c1-2-3-6-11-23-16-18-26(19-17-23)35(33,34)30-21-20-27-28(22-24-12-7-4-8-13-24)31-32-29(27)25-14-9-5-10-15-25/h4-5,7-10,12-19,30H,2-3,6,11,20-22H2,1H3,(H,31,32)
InChIKeyGDFBLHMZFJWYAN-UHFFFAOYSA-N
MW487.67 g/mol
LogP5.92
Rot. Bonds12

About N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide

N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide (PubChem CID 56680214) has the molecular formula C29H33N3O2S and a molecular weight of 487.67 g/mol. Its IUPAC name is N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
PubChem CID56680214
Molecular FormulaC29H33N3O2S
Molecular Weight487.67 g/mol
Exact Mass487.23
IUPAC NameN-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccccc3)n[nH]c2Cc2ccccc2)cc1
InChIInChI=1S/C29H33N3O2S/c1-2-3-6-11-23-16-18-26(19-17-23)35(33,34)30-21-20-27-28(22-24-12-7-4-8-13-24)31-32-29(27)25-14-9-5-10-15-25/h4-5,7-10,12-19,30H,2-3,6,11,20-22H2,1H3,(H,31,32)
InChIKeyGDFBLHMZFJWYAN-UHFFFAOYSA-N
XLogP5.92
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.67
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-pentyl-N-[2-(3-phenyl-5-thiophen-2-yl-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 11294571
N-[2-(3,5-diphenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide
CID 56659731
N-cyclohexyl-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 164628813
3-[4-(5-phenyl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
CID 166490769
4-Methylbenzenesulfonic acid;5-methyl-3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 44385346
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 50792315
N-cyclohexyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 164614787
4-(6-fluoro-1H-indazol-3-yl)-N-phenylbenzenesulfonamide
CID 164617510
N-cyclopropyl-4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
CID 164620343
N-cyclopentyl-5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzenesulfonamide
CID 155561853
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 4151083
3,5-dimethyl-4-[2-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole
CID 70753911

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide?
The IUPAC name of N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide (CID 56680214) is N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide is CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3ccccc3)n[nH]c2Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide?
The InChIKey is GDFBLHMZFJWYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2S/c1-2-3-6-11-23-16-18-26(19-17-23)35(33,34)30-21-20-27-28(22-24-12-7-4-8-13-24)31-32-29(27)25-14-9-5-10-15-25/h4-5,7-10,12-19,30H,2-3,6,11,20-22H2,1H3,(H,31,32).
What are the key properties of N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide?
N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide has a molecular weight of 487.67 g/mol, XLogP of 5.92, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzyl-3-phenyl-1H-pyrazol-4-yl)ethyl]-4-pentylbenzenesulfonamide is sourced from PubChem (CID 56680214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).