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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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).