4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid

C20H20N4O5S — CID 162670051

IUPAC4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCCCC(=O)O)cc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N4O5S/c21-30(28,29)16-10-8-15(9-11-16)24-18(14-5-2-1-3-6-14)13-17(23-24)20(27)22-12-4-7-19(25)26/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,27)(H,25,26)(H2,21,28,29)
InChIKeyFRQANTTYPCOFKV-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.78
Rot. Bonds8

About 4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid

4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid (PubChem CID 162670051) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is 4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid
PubChem CID162670051
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC Name4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NCCCC(=O)O)cc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N4O5S/c21-30(28,29)16-10-8-15(9-11-16)24-18(14-5-2-1-3-6-14)13-17(23-24)20(27)22-12-4-7-19(25)26/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,27)(H,25,26)(H2,21,28,29)
InChIKeyFRQANTTYPCOFKV-UHFFFAOYSA-N
XLogP1.78
TPSA144.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 151104161
5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 151319427
N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 155513070
4-[5-(4-Fluorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155517041
4-[5-(4-Fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155519294
2-[4-[(1R)-1-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]ethyl]phenyl]sulfonylacetic acid
CID 155526686
4-[5-(4-Methylphenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155539820
4-[5-(3-Fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155542855
4-[5-(3-Fluorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155545220
4-[5-(4-Methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155550206
4-[5-Phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155557877

Frequently Asked Questions

What is the IUPAC name of 4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid (CID 162670051) is 4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid is NS(=O)(=O)c1ccc(-n2nc(C(=O)NCCCC(=O)O)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid?
The InChIKey is FRQANTTYPCOFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c21-30(28,29)16-10-8-15(9-11-16)24-18(14-5-2-1-3-6-14)13-17(23-24)20(27)22-12-4-7-19(25)26/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,27)(H,25,26)(H2,21,28,29).
What are the key properties of 4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid?
4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid has a molecular weight of 428.47 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 162670051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).