N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide

C23H16F3N3O3S — CID 166792036

IUPACN-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nn(-c3cccc(F)c3)cc2C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H16F3N3O3S/c1-33(31,32)18-8-5-14(6-9-18)22-19(13-29(28-22)17-4-2-3-15(24)11-17)23(30)27-16-7-10-20(25)21(26)12-16/h2-13H,1H3,(H,27,30)
InChIKeyRRZZZWHNFHBVKO-UHFFFAOYSA-N
MW471.46 g/mol
LogP4.61
Rot. Bonds5

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

N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 166792036) has the molecular formula C23H16F3N3O3S and a molecular weight of 471.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID166792036
Molecular FormulaC23H16F3N3O3S
Molecular Weight471.46 g/mol
Exact Mass471.09
IUPAC NameN-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nn(-c3cccc(F)c3)cc2C(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H16F3N3O3S/c1-33(31,32)18-8-5-14(6-9-18)22-19(13-29(28-22)17-4-2-3-15(24)11-17)23(30)27-16-7-10-20(25)21(26)12-16/h2-13H,1H3,(H,27,30)
InChIKeyRRZZZWHNFHBVKO-UHFFFAOYSA-N
XLogP4.61
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792113
1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 131955137
N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 166791968
1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792117
3-(3,4-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 27335088
N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336041
3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 166792125
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
N-(3-fluoro-4-morpholin-4-ylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 56500113
1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 166792021
1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-nitrophenyl)pyrazole-4-carboxamide
CID 166792000
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide (CID 166792036) is N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide is CS(=O)(=O)c1ccc(-c2nn(-c3cccc(F)c3)cc2C(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is RRZZZWHNFHBVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O3S/c1-33(31,32)18-8-5-14(6-9-18)22-19(13-29(28-22)17-4-2-3-15(24)11-17)23(30)27-16-7-10-20(25)21(26)12-16/h2-13H,1H3,(H,27,30).
What are the key properties of N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide?
N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 471.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166792036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).