1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole

C24H16F6N2O2S — CID 174549054

IUPAC1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole
SMILESCS(=O)(=O)c1ccccc1-c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C24H16F6N2O2S/c1-35(33,34)21-9-5-3-6-17(21)15-10-12-16(13-11-15)32-20(14-22(31-32)24(28,29)30)18-7-2-4-8-19(18)23(25,26)27/h2-14H,1H3
InChIKeyRLLUXLIMLJAYFH-UHFFFAOYSA-N
MW510.46 g/mol
LogP6.65
Rot. Bonds4

About 1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole

1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole (PubChem CID 174549054) has the molecular formula C24H16F6N2O2S and a molecular weight of 510.46 g/mol. Its IUPAC name is 1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole
PubChem CID174549054
Molecular FormulaC24H16F6N2O2S
Molecular Weight510.46 g/mol
Exact Mass510.08
IUPAC Name1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole
SMILESCS(=O)(=O)c1ccccc1-c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C24H16F6N2O2S/c1-35(33,34)21-9-5-3-6-17(21)15-10-12-16(13-11-15)32-20(14-22(31-32)24(28,29)30)18-7-2-4-8-19(18)23(25,26)27/h2-14H,1H3
InChIKeyRLLUXLIMLJAYFH-UHFFFAOYSA-N
XLogP6.65
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.46
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(furan-2-yl)-2-methylphenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 22316649
N-methyl-4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 11794986
5-(3-fluoro-4-methylsulfonylphenyl)-1-(4-isocyanophenyl)-3-(trifluoromethyl)pyrazole
CID 59925887
1-(3,4-dichlorophenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 22746898
3-methyl-4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 135848011
4-[5-[5-propan-2-yl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 78324943
1-(2,5-difluoro-4-methylsulfonylphenyl)-5-phenyl-3-(trifluoromethyl)pyrazole
CID 22747151
[4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl] acetate
CID 22909681
N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
CID 10524951
2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 68939881
methanesulfonamide;5-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 142958737
2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine
CID 23218110

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole (CID 174549054) is 1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole is CS(=O)(=O)c1ccccc1-c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is RLLUXLIMLJAYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2O2S/c1-35(33,34)21-9-5-3-6-17(21)15-10-12-16(13-11-15)32-20(14-22(31-32)24(28,29)30)18-7-2-4-8-19(18)23(25,26)27/h2-14H,1H3.
What are the key properties of 1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole?
1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 510.46 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 174549054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).