2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol

C18H24N2O3S — CID 11175483

IUPAC2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CCO)nn2C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3S/c1-24(22,23)17-9-7-14(8-10-17)18-13-15(11-12-21)19-20(18)16-5-3-2-4-6-16/h7-10,13,16,21H,2-6,11-12H2,1H3
InChIKeyDIOJUMHZGLZCJU-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.99
Rot. Bonds5

About 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol

2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol (PubChem CID 11175483) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol
PubChem CID11175483
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CCO)nn2C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3S/c1-24(22,23)17-9-7-14(8-10-17)18-13-15(11-12-21)19-20(18)16-5-3-2-4-6-16/h7-10,13,16,21H,2-6,11-12H2,1H3
InChIKeyDIOJUMHZGLZCJU-UHFFFAOYSA-N
XLogP2.99
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol?
The IUPAC name of 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol (CID 11175483) is 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol?
The canonical SMILES for 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol is CS(=O)(=O)c1ccc(-c2cc(CCO)nn2C2CCCCC2)cc1.
What is the InChIKey of 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol?
The InChIKey is DIOJUMHZGLZCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-24(22,23)17-9-7-14(8-10-17)18-13-15(11-12-21)19-20(18)16-5-3-2-4-6-16/h7-10,13,16,21H,2-6,11-12H2,1H3.
What are the key properties of 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol?
2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol has a molecular weight of 348.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 11175483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).