1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol

C12H13FN2O3S — CID 165479610

IUPAC1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol
SMILESCC(O)c1cc(F)ccc1-n1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C12H13FN2O3S/c1-8(16)11-5-9(13)3-4-12(11)15-7-10(6-14-15)19(2,17)18/h3-8,16H,1-2H3
InChIKeyJOPURCUCLSTMQJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.47
Rot. Bonds3

About 1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol

1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol (PubChem CID 165479610) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol
PubChem CID165479610
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol
SMILESCC(O)c1cc(F)ccc1-n1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C12H13FN2O3S/c1-8(16)11-5-9(13)3-4-12(11)15-7-10(6-14-15)19(2,17)18/h3-8,16H,1-2H3
InChIKeyJOPURCUCLSTMQJ-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanol
CID 78941315
(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol
CID 63372226
[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]methanol
CID 165472365
1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide
CID 64780258
1-[3-fluoro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine
CID 165477513
ethyl 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxylate
CID 81497590
(1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol
CID 165472374
(1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 63372283
1-(2,4-difluorophenyl)pyrazole-4-sulfonyl chloride
CID 43531743
(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine
CID 63369135
3-amino-4-(4-methylsulfonylpyrazol-1-yl)benzamide
CID 165472831
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
CID 78941320

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol (CID 165479610) is 1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol is CC(O)c1cc(F)ccc1-n1cc(S(C)(=O)=O)cn1.
What is the InChIKey of 1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is JOPURCUCLSTMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-8(16)11-5-9(13)3-4-12(11)15-7-10(6-14-15)19(2,17)18/h3-8,16H,1-2H3.
What are the key properties of 1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol?
1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 284.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 165479610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).