4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol

C16H14N2O3S — CID 127050847

IUPAC4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3ccc(O)cc3)cn2)cc1
InChIInChI=1S/C16H14N2O3S/c1-22(20,21)16-8-4-14(5-9-16)18-11-13(10-17-18)12-2-6-15(19)7-3-12/h2-11,19H,1H3
InChIKeyYOCDQSHSKJBCGC-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.65
Rot. Bonds3

About 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol

4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol (PubChem CID 127050847) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol.

Molecular Properties

Compound Name4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol
PubChem CID127050847
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol
SMILESCS(=O)(=O)c1ccc(-n2cc(-c3ccc(O)cc3)cn2)cc1
InChIInChI=1S/C16H14N2O3S/c1-22(20,21)16-8-4-14(5-9-16)18-11-13(10-17-18)12-2-6-15(19)7-3-12/h2-11,19H,1H3
InChIKeyYOCDQSHSKJBCGC-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methanesulfonylphenyl)-3-(4-hydroxyphenyl)-5-(4-trifluoromethylphenyl)-1H-pyrazole (15a)
CID 136961752
4-[3-[3-(4-Fluorophenyl)-1-phenylpyrazol-4-yl]-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 145967467
4-[3-(1,3-Diphenylpyrazol-4-yl)-5-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 145976906
4-[(3S)-3-(2-ethylpyrazol-3-yl)-5-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 100831323
4-[5-(4-Methylsulfonylphenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]phenol
CID 15233419
1-(4-Methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazole
CID 17816732
1-(4-Methylsulfonylphenyl)-4-[4-(trifluoromethoxy)phenyl]pyrazole
CID 17817125
4-[3-(Difluoromethyl)-5-(4-methylsulfonylphenyl)-1-phenylpyrazol-4-yl]phenol
CID 19041488
2,2,2-trifluoro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-[2-(4-hydroxyphenyl)ethyl]ethanesulfonamide
CID 67199544
1-[3-(Difluoromethyl)-5-(4-methoxyphenyl)-4-methylsulfonylphenyl]pyrazole
CID 67727008
4-[1-[3-(Difluoromethyl)pyrazol-1-yl]-3-(4-methylsulfonylphenyl)cyclohexa-2,4-dien-1-yl]phenol
CID 67804252
4-[1-(4-Methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-4-yl]phenol
CID 90801982

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol?
The IUPAC name of 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol (CID 127050847) is 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol.
What is the SMILES notation for 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol?
The canonical SMILES for 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol is CS(=O)(=O)c1ccc(-n2cc(-c3ccc(O)cc3)cn2)cc1.
What is the InChIKey of 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol?
The InChIKey is YOCDQSHSKJBCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-22(20,21)16-8-4-14(5-9-16)18-11-13(10-17-18)12-2-6-15(19)7-3-12/h2-11,19H,1H3.
What are the key properties of 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol?
4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol has a molecular weight of 314.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]phenol is sourced from PubChem (CID 127050847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).