1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide

C24H18F3N3O5S — CID 166792021

IUPAC1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3O)cc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H18F3N3O5S/c1-36(33,34)18-12-6-15(7-13-18)22-19(14-30(29-22)20-4-2-3-5-21(20)31)23(32)28-16-8-10-17(11-9-16)35-24(25,26)27/h2-14,31H,1H3,(H,28,32)
InChIKeyPRXYKZHMOIEGSN-UHFFFAOYSA-N
MW517.49 g/mol
LogP4.80
Rot. Bonds6

About 1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide

1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide (PubChem CID 166792021) has the molecular formula C24H18F3N3O5S and a molecular weight of 517.49 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
PubChem CID166792021
Molecular FormulaC24H18F3N3O5S
Molecular Weight517.49 g/mol
Exact Mass517.09
IUPAC Name1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3O)cc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C24H18F3N3O5S/c1-36(33,34)18-12-6-15(7-13-18)22-19(14-30(29-22)20-4-2-3-5-21(20)31)23(32)28-16-8-10-17(11-9-16)35-24(25,26)27/h2-14,31H,1H3,(H,28,32)
InChIKeyPRXYKZHMOIEGSN-UHFFFAOYSA-N
XLogP4.80
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.49
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chlorophenyl)-N-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792117
N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792036
3-(4-methylsulfonylphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole-4-carbaldehyde
CID 166792040
1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 175832347
5-methyl-1-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 164577946
N-(3-fluoro-2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 166791968
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 25478247
3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 166792125
1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 131955137
N-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 70694214
1-(3-cyanophenyl)-N-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792113

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide (CID 166792021) is 1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide is CS(=O)(=O)c1ccc(-c2nn(-c3ccccc3O)cc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The InChIKey is PRXYKZHMOIEGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O5S/c1-36(33,34)18-12-6-15(7-13-18)22-19(14-30(29-22)20-4-2-3-5-21(20)31)23(32)28-16-8-10-17(11-9-16)35-24(25,26)27/h2-14,31H,1H3,(H,28,32).
What are the key properties of 1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide has a molecular weight of 517.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-(4-methylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166792021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).