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

C20H28N2O3S — CID 10248970

IUPAC3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol
SMILESCS(=O)(=O)c1ccc(-c2cc(CCCO)nn2CC2CCCCC2)cc1
InChIInChI=1S/C20H28N2O3S/c1-26(24,25)19-11-9-17(10-12-19)20-14-18(8-5-13-23)21-22(20)15-16-6-3-2-4-7-16/h9-12,14,16,23H,2-8,13,15H2,1H3
InChIKeyKXJCLAZWRFCEGK-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.46
Rot. Bonds7

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

3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol (PubChem CID 10248970) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol
PubChem CID10248970
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol
SMILESCS(=O)(=O)c1ccc(-c2cc(CCCO)nn2CC2CCCCC2)cc1
InChIInChI=1S/C20H28N2O3S/c1-26(24,25)19-11-9-17(10-12-19)20-14-18(8-5-13-23)21-22(20)15-16-6-3-2-4-7-16/h9-12,14,16,23H,2-8,13,15H2,1H3
InChIKeyKXJCLAZWRFCEGK-UHFFFAOYSA-N
XLogP3.46
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol?
The IUPAC name of 3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol (CID 10248970) is 3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol is CS(=O)(=O)c1ccc(-c2cc(CCCO)nn2CC2CCCCC2)cc1.
What is the InChIKey of 3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol?
The InChIKey is KXJCLAZWRFCEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-26(24,25)19-11-9-17(10-12-19)20-14-18(8-5-13-23)21-22(20)15-16-6-3-2-4-7-16/h9-12,14,16,23H,2-8,13,15H2,1H3.
What are the key properties of 3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol?
3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol has a molecular weight of 376.52 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 10248970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).