(1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol

C12H14N2O3S — CID 165472374

IUPAC(1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(-n2cc(S(C)(=O)=O)cn2)cc1
InChIInChI=1S/C12H14N2O3S/c1-9(15)10-3-5-11(6-4-10)14-8-12(7-13-14)18(2,16)17/h3-9,15H,1-2H3/t9-/m0/s1
InChIKeyRKOQKSCPDSYHIZ-VIFPVBQESA-N
MW266.32 g/mol
LogP1.33
Rot. Bonds3

About (1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol

(1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol (PubChem CID 165472374) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is (1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol
PubChem CID165472374
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol
SMILESC[C@H](O)c1ccc(-n2cc(S(C)(=O)=O)cn2)cc1
InChIInChI=1S/C12H14N2O3S/c1-9(15)10-3-5-11(6-4-10)14-8-12(7-13-14)18(2,16)17/h3-9,15H,1-2H3/t9-/m0/s1
InChIKeyRKOQKSCPDSYHIZ-VIFPVBQESA-N
XLogP1.33
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064
(1R)-1-[2-chloro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine
CID 165469999
1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol
CID 165479610
[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 165472913
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
(1R)-1-[5-(4-methylsulfonylpyrazol-1-yl)-2-pyridinyl]propan-1-amine
CID 165477516
1-[3-fluoro-4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanamine
CID 165477513
3-methyl-5-(4-methylsulfonylpyrazol-1-yl)aniline
CID 165472756
N'-hydroxy-4-(4-methylsulfonylpyrazol-1-yl)pyridine-2-carboximidamide
CID 165481074
(1S)-1-[2-(4-methylsulfonylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 165477558
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463
4-iodo-1-(4-propan-2-ylsulfonylphenyl)pyrazole
CID 164888570

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol (CID 165472374) is (1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol is C[C@H](O)c1ccc(-n2cc(S(C)(=O)=O)cn2)cc1.
What is the InChIKey of (1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is RKOQKSCPDSYHIZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9(15)10-3-5-11(6-4-10)14-8-12(7-13-14)18(2,16)17/h3-9,15H,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol?
(1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 266.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 165472374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).