4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol

C24H22N2O4S — CID 135693305

IUPAC4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)nn(S(=O)(=O)c2ccc(C)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C24H22N2O4S/c1-3-22-23(17-6-10-19(27)11-7-17)25-26(24(22)18-8-12-20(28)13-9-18)31(29,30)21-14-4-16(2)5-15-21/h4-15,27-28H,3H2,1-2H3
InChIKeyPVPXIFOYIJSOTJ-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.74
Rot. Bonds5

About 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol

4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol (PubChem CID 135693305) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol
PubChem CID135693305
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)nn(S(=O)(=O)c2ccc(C)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C24H22N2O4S/c1-3-22-23(17-6-10-19(27)11-7-17)25-26(24(22)18-8-12-20(28)13-9-18)31(29,30)21-14-4-16(2)5-15-21/h4-15,27-28H,3H2,1-2H3
InChIKeyPVPXIFOYIJSOTJ-UHFFFAOYSA-N
XLogP4.74
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3,5-bis(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrazole
CID 19588047
4-[4-ethyl-3-(4-hydroxyphenyl)-1-(2-methylpropyl)pyrazol-5-yl]phenol
CID 135693268
4-[1-(3,5-dichlorophenyl)-4-ethyl-3-(4-hydroxyphenyl)pyrazol-5-yl]phenol
CID 135693404
4-[4-ethyl-3-(4-hydroxyphenyl)-1-pyridin-2-ylpyrazol-5-yl]phenol
CID 135693427
4-[3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridin-2-yl]phenol
CID 139886664
4-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]phenol
CID 145421044
4-[4-ethyl-3-(4-hydroxyphenyl)-1-[2-(trifluoromethyl)phenyl]pyrazol-5-yl]phenol
CID 135693271
3-methyl-1,4-bis-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrazole
CID 156769792
5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine
CID 828557
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
benzyl 1-(4-methylphenyl)sulfonyl-5-phenyltriazole-4-carboxylate
CID 134944847
bis(4-(4-methylphenyl)sulfonylphenol);molecular hydrogen;hydrochloride
CID 160552688

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol?
The IUPAC name of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol (CID 135693305) is 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol.
What is the SMILES notation for 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol?
The canonical SMILES for 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol is CCc1c(-c2ccc(O)cc2)nn(S(=O)(=O)c2ccc(C)cc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol?
The InChIKey is PVPXIFOYIJSOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-3-22-23(17-6-10-19(27)11-7-17)25-26(24(22)18-8-12-20(28)13-9-18)31(29,30)21-14-4-16(2)5-15-21/h4-15,27-28H,3H2,1-2H3.
What are the key properties of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol?
4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol has a molecular weight of 434.52 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-3-(4-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-yl]phenol is sourced from PubChem (CID 135693305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).