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

C16H20N2O3S — CID 11198005

IUPAC[1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCCC2)cc1
InChIInChI=1S/C16H20N2O3S/c1-22(20,21)15-8-6-12(7-9-15)16-10-13(11-19)17-18(16)14-4-2-3-5-14/h6-10,14,19H,2-5,11H2,1H3
InChIKeyDEICHVOHTKXBQO-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.56
Rot. Bonds4

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

[1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (PubChem CID 11198005) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is [1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
PubChem CID11198005
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name[1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCCC2)cc1
InChIInChI=1S/C16H20N2O3S/c1-22(20,21)15-8-6-12(7-9-15)16-10-13(11-19)17-18(16)14-4-2-3-5-14/h6-10,14,19H,2-5,11H2,1H3
InChIKeyDEICHVOHTKXBQO-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (CID 11198005) is [1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is CS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCCC2)cc1.
What is the InChIKey of [1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The InChIKey is DEICHVOHTKXBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-22(20,21)15-8-6-12(7-9-15)16-10-13(11-19)17-18(16)14-4-2-3-5-14/h6-10,14,19H,2-5,11H2,1H3.
What are the key properties of [1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
[1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol has a molecular weight of 320.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 11198005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).