1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide

C23H18ClN3O4S — CID 166792117

IUPAC1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nn(-c3ccc(Cl)cc3)cc2C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C23H18ClN3O4S/c1-32(30,31)18-12-6-15(7-13-18)22-19(23(29)25-20-4-2-3-5-21(20)28)14-27(26-22)17-10-8-16(24)9-11-17/h2-14,28H,1H3,(H,25,29)
InChIKeyCTPDAOYCWZPAQZ-UHFFFAOYSA-N
MW467.93 g/mol
LogP4.55
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 166792117) has the molecular formula C23H18ClN3O4S and a molecular weight of 467.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID166792117
Molecular FormulaC23H18ClN3O4S
Molecular Weight467.93 g/mol
Exact Mass467.07
IUPAC Name1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nn(-c3ccc(Cl)cc3)cc2C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C23H18ClN3O4S/c1-32(30,31)18-12-6-15(7-13-18)22-19(23(29)25-20-4-2-3-5-21(20)28)14-27(26-22)17-10-8-16(24)9-11-17/h2-14,28H,1H3,(H,25,29)
InChIKeyCTPDAOYCWZPAQZ-UHFFFAOYSA-N
XLogP4.55
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 166791968
3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 166792125
3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid
CID 52916544
N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792036
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 131955137
3-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 26311448
N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2412473
1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 166792021
3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 4114034
3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2121799

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide (CID 166792117) is 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide is CS(=O)(=O)c1ccc(-c2nn(-c3ccc(Cl)cc3)cc2C(=O)Nc2ccccc2O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is CTPDAOYCWZPAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O4S/c1-32(30,31)18-12-6-15(7-13-18)22-19(23(29)25-20-4-2-3-5-21(20)28)14-27(26-22)17-10-8-16(24)9-11-17/h2-14,28H,1H3,(H,25,29).
What are the key properties of 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 467.93 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166792117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).