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

C17H22N2O3S — CID 10131762

IUPAC[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O3S/c1-23(21,22)16-9-7-13(8-10-16)17-11-14(12-20)18-19(17)15-5-3-2-4-6-15/h7-11,15,20H,2-6,12H2,1H3
InChIKeyHKOZPTSLPOOADL-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.95
Rot. Bonds4

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

[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (PubChem CID 10131762) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is [1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
PubChem CID10131762
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCCCC2)cc1
InChIInChI=1S/C17H22N2O3S/c1-23(21,22)16-9-7-13(8-10-16)17-11-14(12-20)18-19(17)15-5-3-2-4-6-15/h7-11,15,20H,2-6,12H2,1H3
InChIKeyHKOZPTSLPOOADL-UHFFFAOYSA-N
XLogP2.95
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (CID 10131762) is [1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is CS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCCCC2)cc1.
What is the InChIKey of [1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The InChIKey is HKOZPTSLPOOADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-23(21,22)16-9-7-13(8-10-16)17-11-14(12-20)18-19(17)15-5-3-2-4-6-15/h7-11,15,20H,2-6,12H2,1H3.
What are the key properties of [1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
[1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol has a molecular weight of 334.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 10131762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).