4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C24H20N4O4S — CID 166451312

IUPAC4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C(=O)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H20N4O4S/c1-28-22(16-8-4-2-5-9-16)20(23(29)17-10-6-3-7-11-17)21(27-28)24(30)26-18-12-14-19(15-13-18)33(25,31)32/h2-15H,1H3,(H,26,30)(H2,25,31,32)
InChIKeyNSONOQWMHZPPTG-UHFFFAOYSA-N
MW460.52 g/mol
LogP3.22
Rot. Bonds6

About 4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 166451312) has the molecular formula C24H20N4O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is 4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID166451312
Molecular FormulaC24H20N4O4S
Molecular Weight460.52 g/mol
Exact Mass460.12
IUPAC Name4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C(=O)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H20N4O4S/c1-28-22(16-8-4-2-5-9-16)20(23(29)17-10-6-3-7-11-17)21(27-28)24(30)26-18-12-14-19(15-13-18)33(25,31)32/h2-15H,1H3,(H,26,30)(H2,25,31,32)
InChIKeyNSONOQWMHZPPTG-UHFFFAOYSA-N
XLogP3.22
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 166451312) is 4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C(=O)c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is NSONOQWMHZPPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4S/c1-28-22(16-8-4-2-5-9-16)20(23(29)17-10-6-3-7-11-17)21(27-28)24(30)26-18-12-14-19(15-13-18)33(25,31)32/h2-15H,1H3,(H,26,30)(H2,25,31,32).
What are the key properties of 4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 460.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-1-methyl-5-phenyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 166451312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).