4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol

C23H18F2N2O3S — CID 67804250

IUPAC4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol
SMILESCS(=O)(=O)c1ccc(-c2ccccc2-c2cc(C(F)F)nn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H18F2N2O3S/c1-31(29,30)18-12-6-15(7-13-18)19-4-2-3-5-20(19)22-14-21(23(24)25)26-27(22)16-8-10-17(28)11-9-16/h2-14,23,28H,1H3
InChIKeyBQZFLKIJGMZOLE-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.25
Rot. Bonds5

About 4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol

4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol (PubChem CID 67804250) has the molecular formula C23H18F2N2O3S and a molecular weight of 440.47 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol
PubChem CID67804250
Molecular FormulaC23H18F2N2O3S
Molecular Weight440.47 g/mol
Exact Mass440.10
IUPAC Name4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol
SMILESCS(=O)(=O)c1ccc(-c2ccccc2-c2cc(C(F)F)nn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H18F2N2O3S/c1-31(29,30)18-12-6-15(7-13-18)19-4-2-3-5-20(19)22-14-21(23(24)25)26-27(22)16-8-10-17(28)11-9-16/h2-14,23,28H,1H3
InChIKeyBQZFLKIJGMZOLE-UHFFFAOYSA-N
XLogP5.25
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethyl)-1-(4-fluoro-3-methylphenyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 18355439
3-(difluoromethyl)-1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 67736071
4-[3-(difluoromethyl)-5-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 67743721
1-(1,3-benzodioxol-5-yl)-3-(difluoromethyl)-5-(4-methylsulfonylphenyl)pyrazole
CID 22909693
[4-[3-(difluoromethyl)-1-(4-hydroxyphenyl)pyrazol-5-yl]phenyl]methanesulfinate
CID 174283623
3-methyl-4-[1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 135848011
2-[3-(difluoromethyl)-1-(4-fluorophenyl)pyrazol-5-yl]benzenesulfonamide
CID 67662509
4-[3-(difluoromethyl)-1-(4-sulfamoylphenyl)pyrazol-5-yl]benzoic acid
CID 10668272
[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol
CID 22014688
2-[3-(difluoromethyl)-1-(4-methylsulfonylphenyl)pyrazol-5-yl]-6-fluoro-5-methyl-1,3-benzothiazole
CID 23285453
4-[3-(difluoromethyl)-5-(2-methylfuran-3-yl)pyrazol-1-yl]benzenesulfonamide
CID 141009783
4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol
CID 135990947

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol?
The IUPAC name of 4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol (CID 67804250) is 4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol.
What is the SMILES notation for 4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol?
The canonical SMILES for 4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol is CS(=O)(=O)c1ccc(-c2ccccc2-c2cc(C(F)F)nn2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol?
The InChIKey is BQZFLKIJGMZOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O3S/c1-31(29,30)18-12-6-15(7-13-18)19-4-2-3-5-20(19)22-14-21(23(24)25)26-27(22)16-8-10-17(28)11-9-16/h2-14,23,28H,1H3.
What are the key properties of 4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol?
4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol has a molecular weight of 440.47 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-5-[2-(4-methylsulfonylphenyl)phenyl]pyrazol-1-yl]phenol is sourced from PubChem (CID 67804250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).