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

C18H24N2O3S — CID 10089117

IUPAC[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2CC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3S/c1-24(22,23)17-9-7-15(8-10-17)18-11-16(13-21)19-20(18)12-14-5-3-2-4-6-14/h7-11,14,21H,2-6,12-13H2,1H3
InChIKeyFYCJJONQOAMFFG-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.03
Rot. Bonds5

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

[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (PubChem CID 10089117) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
PubChem CID10089117
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2CC2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3S/c1-24(22,23)17-9-7-15(8-10-17)18-11-16(13-21)19-20(18)12-14-5-3-2-4-6-14/h7-11,14,21H,2-6,12-13H2,1H3
InChIKeyFYCJJONQOAMFFG-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (CID 10089117) is [1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is CS(=O)(=O)c1ccc(-c2cc(CO)nn2CC2CCCCC2)cc1.
What is the InChIKey of [1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The InChIKey is FYCJJONQOAMFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-24(22,23)17-9-7-15(8-10-17)18-11-16(13-21)19-20(18)12-14-5-3-2-4-6-14/h7-11,14,21H,2-6,12-13H2,1H3.
What are the key properties of [1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol has a molecular weight of 348.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 10089117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).