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

C23H16ClF3N2O2S — CID 59633156

IUPAC1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole
SMILESCS(=O)(=O)c1cccc(-c2cccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)c2)c1
InChIInChI=1S/C23H16ClF3N2O2S/c1-32(30,31)18-9-5-7-16(13-18)15-6-4-8-17(12-15)21-14-22(23(25,26)27)28-29(21)20-11-3-2-10-19(20)24/h2-14H,1H3
InChIKeyVOOZJAGZCXOELE-UHFFFAOYSA-N
MW476.91 g/mol
LogP6.28
Rot. Bonds4

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

1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole (PubChem CID 59633156) has the molecular formula C23H16ClF3N2O2S and a molecular weight of 476.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole
PubChem CID59633156
Molecular FormulaC23H16ClF3N2O2S
Molecular Weight476.91 g/mol
Exact Mass476.06
IUPAC Name1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole
SMILESCS(=O)(=O)c1cccc(-c2cccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)c2)c1
InChIInChI=1S/C23H16ClF3N2O2S/c1-32(30,31)18-9-5-7-16(13-18)15-6-4-8-17(12-15)21-14-22(23(25,26)27)28-29(21)20-11-3-2-10-19(20)24/h2-14H,1H3
InChIKeyVOOZJAGZCXOELE-UHFFFAOYSA-N
XLogP6.28
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.91
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Chlorophenyl)-5-[4-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole
CID 59632480
4-[5-(4-Chloro-phenyl)-4-methyl-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10764356
4-[5-(4-Chloro-phenyl)-4-ethyl-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10765040
1-(2-Chlorophenyl)-5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazole
CID 59632482
1-(4-Methanesulfonylphenyl)-3-(p-tolyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15b)
CID 118855476
3-(4-Fluorophenyl)-1-(4-methanesulfonylphenyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15e)
CID 118855479
3-(3,4-Difluorophenyl)-1-(4-methanesulfonylphenyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15f)
CID 118855480
1-[4-(Methylsulfonyl)phenyl]-3-(trifluoromethyl)-5-phenyl-1H-pyrazole
CID 19001581
3-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 44370618
4-[5-[4-(4-Chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10344982
5-[4-(4-Methylphenyl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 49783894
3-(4-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-4,5,6,7-tetrahydro-1H-indazole
CID 9843189

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole (CID 59633156) is 1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole is CS(=O)(=O)c1cccc(-c2cccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)c2)c1.
What is the InChIKey of 1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is VOOZJAGZCXOELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N2O2S/c1-32(30,31)18-9-5-7-16(13-18)15-6-4-8-17(12-15)21-14-22(23(25,26)27)28-29(21)20-11-3-2-10-19(20)24/h2-14H,1H3.
What are the key properties of 1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole?
1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 476.91 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-[3-(3-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59633156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).