N-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide

C29H37FN4O4S — CID 163249475

IUPACN-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(COCCCCCCCNC(=O)C3CCCC3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C29H37FN4O4S/c30-24-12-10-22(11-13-24)28-20-25(33-34(28)26-14-16-27(17-15-26)39(31,36)37)21-38-19-7-3-1-2-6-18-32-29(35)23-8-4-5-9-23/h10-17,20,23H,1-9,18-19,21H2,(H,32,35)(H2,31,36,37)
InChIKeyWWBYEHWPBYJSGQ-UHFFFAOYSA-N
MW556.70 g/mol
LogP5.10
Rot. Bonds14

About N-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide

N-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide (PubChem CID 163249475) has the molecular formula C29H37FN4O4S and a molecular weight of 556.70 g/mol. Its IUPAC name is N-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide
PubChem CID163249475
Molecular FormulaC29H37FN4O4S
Molecular Weight556.70 g/mol
Exact Mass556.25
IUPAC NameN-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(COCCCCCCCNC(=O)C3CCCC3)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C29H37FN4O4S/c30-24-12-10-22(11-13-24)28-20-25(33-34(28)26-14-16-27(17-15-26)39(31,36)37)21-38-19-7-3-1-2-6-18-32-29(35)23-8-4-5-9-23/h10-17,20,23H,1-9,18-19,21H2,(H,32,35)(H2,31,36,37)
InChIKeyWWBYEHWPBYJSGQ-UHFFFAOYSA-N
XLogP5.10
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.70
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl-(2-sulfidoethyl)amino]ethylazanidyl]ethanethiolate;oxocopper
CID 171654901
tert-butyl N-[2-[5-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]pentyl-(2-tritylsulfanylethyl)amino]ethyl]-N-(2-tritylsulfanylethyl)carbamate
CID 163249411
N-[9-[1-(4-aminosulfanylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]nonyl]cyclopentanecarboxamide
CID 163249481
[2-[2-[2-[4-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]butoxy]ethyl-(2-tritylsulfanylethyl)amino]ethyl]-3,3-dimethyl-2-tritylsulfanylbutyl] carbamate
CID 169005979
4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668569
3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol
CID 10251337
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854
2-[2-[2-[3-amino-12-[[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]-2-oxododecyl]azanidyl-2-oxoethyl]azanidylprop-2-enylazanidyl]-2-oxoethanethiolate;2-[2-[2-[3-amino-12-[[4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]benzoyl]amino]-2-oxododecyl]azanidyl-2-oxoethyl]azanidylprop-2-enylazanidyl]-2-oxoethanethiolate;carbanide;bis(4-[3-(3-cyclopentyl-3-oxopropyl)-5-(4-fluorophenyl)pyrazol-1-yl]benzenesulfonamide);methanol;methanone;2-[2-[2-[2-[4-[[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butylamino]-2-oxoethyl]azanidyl-2-oxoethyl]azanidylprop-2-enylazanidyl]-2-oxoethanethiolate;2-[2-[2-[2-[6-[[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]hexylamino]-2-oxoethyl]azanidyl-2-oxoethyl]azanidylprop-2-enylazanidyl]-2-oxoethanethiolate;2-[2-[2-[2-[4-[[4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]benzoyl]amino]butylamino]-2-oxoethyl]azanidyl-2-oxoethyl]azanidylprop-2-enylazanidyl]-2-oxoethanethiolate;2-[2-[2-[2-[6-[[4-[5-methyl-2-(4-sulfamoylphenyl)pyrazol-3-yl]benzoyl]amino]hexylamino]-2-oxoethyl]azanidyl-2-oxoethyl]azanidylprop-2-enylazanidyl]-2-oxoethanethiolate;hexakis(oxo(99Tc)technetium-99(4+));rhenium;technetium
CID 162276434
4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
CID 118855485
1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea
CID 87973346
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
6-[[2-[[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methylamino]acetyl]amino]-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]hexanoic acid
CID 59309379

Frequently Asked Questions

What is the IUPAC name of N-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide?
The IUPAC name of N-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide (CID 163249475) is N-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide?
The canonical SMILES for N-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide is NS(=O)(=O)c1ccc(-n2nc(COCCCCCCCNC(=O)C3CCCC3)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide?
The InChIKey is WWBYEHWPBYJSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN4O4S/c30-24-12-10-22(11-13-24)28-20-25(33-34(28)26-14-16-27(17-15-26)39(31,36)37)21-38-19-7-3-1-2-6-18-32-29(35)23-8-4-5-9-23/h10-17,20,23H,1-9,18-19,21H2,(H,32,35)(H2,31,36,37).
What are the key properties of N-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide?
N-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide has a molecular weight of 556.70 g/mol, XLogP of 5.10, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[[5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]heptyl]cyclopentanecarboxamide is sourced from PubChem (CID 163249475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).