[4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol

C13H15FN2O3S — CID 171906248

IUPAC[4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol
SMILESCCS(=O)(=O)n1cc(-c2cc(C)c(CO)c(F)c2)cn1
InChIInChI=1S/C13H15FN2O3S/c1-3-20(18,19)16-7-11(6-15-16)10-4-9(2)12(8-17)13(14)5-10/h4-7,17H,3,8H2,1-2H3
InChIKeyCWPAOMGGRMZGOM-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.69
Rot. Bonds4

About [4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol

[4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol (PubChem CID 171906248) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is [4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol
PubChem CID171906248
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name[4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol
SMILESCCS(=O)(=O)n1cc(-c2cc(C)c(CO)c(F)c2)cn1
InChIInChI=1S/C13H15FN2O3S/c1-3-20(18,19)16-7-11(6-15-16)10-4-9(2)12(8-17)13(14)5-10/h4-7,17H,3,8H2,1-2H3
InChIKeyCWPAOMGGRMZGOM-UHFFFAOYSA-N
XLogP1.69
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol?
The IUPAC name of [4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol (CID 171906248) is [4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol.
What is the SMILES notation for [4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol?
The canonical SMILES for [4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol is CCS(=O)(=O)n1cc(-c2cc(C)c(CO)c(F)c2)cn1.
What is the InChIKey of [4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol?
The InChIKey is CWPAOMGGRMZGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-3-20(18,19)16-7-11(6-15-16)10-4-9(2)12(8-17)13(14)5-10/h4-7,17H,3,8H2,1-2H3.
What are the key properties of [4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol?
[4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol has a molecular weight of 298.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethylsulfonylpyrazol-4-yl)-2-fluoro-6-methylphenyl]methanol is sourced from PubChem (CID 171906248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).