1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide

C24H17FN4O3S — CID 166792113

IUPAC1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nn(-c3cccc(C#N)c3)cc2C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C24H17FN4O3S/c1-33(31,32)21-10-8-17(9-11-21)23-22(24(30)27-19-6-3-5-18(25)13-19)15-29(28-23)20-7-2-4-16(12-20)14-26/h2-13,15H,1H3,(H,27,30)
InChIKeyPWAGMBUNQLHXHS-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.21
Rot. Bonds5

About 1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide

1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 166792113) has the molecular formula C24H17FN4O3S and a molecular weight of 460.49 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID166792113
Molecular FormulaC24H17FN4O3S
Molecular Weight460.49 g/mol
Exact Mass460.10
IUPAC Name1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nn(-c3cccc(C#N)c3)cc2C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C24H17FN4O3S/c1-33(31,32)21-10-8-17(9-11-21)23-22(24(30)27-19-6-3-5-18(25)13-19)15-29(28-23)20-7-2-4-16(12-20)14-26/h2-13,15H,1H3,(H,27,30)
InChIKeyPWAGMBUNQLHXHS-UHFFFAOYSA-N
XLogP4.21
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 131955137
N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792036
1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide
CID 166792000
N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 166791968
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 27335088
3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 166792125
N-(3-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150668584
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
3-[4-(2,2-dichloroacetyl)phenyl]-N-(3-fluorophenyl)-1-(4-isocyanophenyl)pyrazole-4-carboxamide
CID 159828188
1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792117
N-(3-chlorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 151307520
N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 166184461

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide (CID 166792113) is 1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide is CS(=O)(=O)c1ccc(-c2nn(-c3cccc(C#N)c3)cc2C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is PWAGMBUNQLHXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O3S/c1-33(31,32)21-10-8-17(9-11-21)23-22(24(30)27-19-6-3-5-18(25)13-19)15-29(28-23)20-7-2-4-16(12-20)14-26/h2-13,15H,1H3,(H,27,30).
What are the key properties of 1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166792113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).