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

C18H24N2O3S — CID 11439465

IUPAC[1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCCCCC2)cc1
InChIInChI=1S/C18H24N2O3S/c1-24(22,23)17-10-8-14(9-11-17)18-12-15(13-21)19-20(18)16-6-4-2-3-5-7-16/h8-12,16,21H,2-7,13H2,1H3
InChIKeyNGFHEYPFPCBMRE-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.34
Rot. Bonds4

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

[1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (PubChem CID 11439465) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is [1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
PubChem CID11439465
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name[1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCCCCC2)cc1
InChIInChI=1S/C18H24N2O3S/c1-24(22,23)17-10-8-14(9-11-17)18-12-15(13-21)19-20(18)16-6-4-2-3-5-7-16/h8-12,16,21H,2-7,13H2,1H3
InChIKeyNGFHEYPFPCBMRE-UHFFFAOYSA-N
XLogP3.34
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (CID 11439465) is [1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is CS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCCCCC2)cc1.
What is the InChIKey of [1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The InChIKey is NGFHEYPFPCBMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-24(22,23)17-10-8-14(9-11-17)18-12-15(13-21)19-20(18)16-6-4-2-3-5-7-16/h8-12,16,21H,2-7,13H2,1H3.
What are the key properties of [1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
[1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol has a molecular weight of 348.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 11439465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).