N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide

C23H18FN3O4S — CID 166791968

IUPACN-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(F)c2O)cc1
InChIInChI=1S/C23H18FN3O4S/c1-32(30,31)17-12-10-15(11-13-17)21-18(14-27(26-21)16-6-3-2-4-7-16)23(29)25-20-9-5-8-19(24)22(20)28/h2-14,28H,1H3,(H,25,29)
InChIKeyDGDIGLDHUSYOIE-UHFFFAOYSA-N
MW451.48 g/mol
LogP4.04
Rot. Bonds5

About N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide

N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 166791968) has the molecular formula C23H18FN3O4S and a molecular weight of 451.48 g/mol. Its IUPAC name is N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID166791968
Molecular FormulaC23H18FN3O4S
Molecular Weight451.48 g/mol
Exact Mass451.10
IUPAC NameN-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(F)c2O)cc1
InChIInChI=1S/C23H18FN3O4S/c1-32(30,31)17-12-10-15(11-13-17)21-18(14-27(26-21)16-6-3-2-4-7-16)23(29)25-20-9-5-8-19(24)22(20)28/h2-14,28H,1H3,(H,25,29)
InChIKeyDGDIGLDHUSYOIE-UHFFFAOYSA-N
XLogP4.04
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 54.04
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

1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792117
3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 166792125
N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792036
N-(2,3-difluorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150344989
3-(4-fluorophenyl)-N-(2-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 4114034
1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 131955137
1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792113
1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19281225
N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55344475
N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 26881990
1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 175832347

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide (CID 166791968) is N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide is CS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(F)c2O)cc1.
What is the InChIKey of N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is DGDIGLDHUSYOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4S/c1-32(30,31)17-12-10-15(11-13-17)21-18(14-27(26-21)16-6-3-2-4-7-16)23(29)25-20-9-5-8-19(24)22(20)28/h2-14,28H,1H3,(H,25,29).
What are the key properties of N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 166791968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).