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

C19H26N2O3S — CID 11439875

IUPAC[1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCCCCCC2)cc1
InChIInChI=1S/C19H26N2O3S/c1-25(23,24)18-11-9-15(10-12-18)19-13-16(14-22)20-21(19)17-7-5-3-2-4-6-8-17/h9-13,17,22H,2-8,14H2,1H3
InChIKeyWQGQTFVBTHEUHB-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.73
Rot. Bonds4

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

[1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (PubChem CID 11439875) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is [1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
PubChem CID11439875
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name[1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCCCCCC2)cc1
InChIInChI=1S/C19H26N2O3S/c1-25(23,24)18-11-9-15(10-12-18)19-13-16(14-22)20-21(19)17-7-5-3-2-4-6-8-17/h9-13,17,22H,2-8,14H2,1H3
InChIKeyWQGQTFVBTHEUHB-UHFFFAOYSA-N
XLogP3.73
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{1-methyl-5-[(4-methylphenyl)sulfonyl]-3-phenyl-1H-pyrazol-4-yl}methanol
CID 1474368
1-Cyclohexyl-5-(4-methanesulfonyl-phenyl)-3-nitrooxymethyl-1H-pyrazole
CID 9969968
[1-(4-Methanesulfonyl-phenyl)-5-phenyl-1H-pyrazol-3-yl]-methanol
CID 11301895
(4'-(1-isobutyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-3-(methylsulfonyl)biphenyl-4-yl)methanol
CID 117940592
[1-Cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate
CID 10046983
[1-Cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate
CID 10069149
1H-Pyrazole-3-methanol, 5-[4-(methylsulfonyl)phenyl]-1-(phenylmethyl)-
CID 10088752
[1-(Cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 10089117
[1-Cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 10131762
3-[1-(Cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol
CID 10248970
[1-(Cyclohexylmethyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate
CID 10249986
[1-Benzyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl nitrate
CID 10407883

Frequently Asked Questions

What is the IUPAC name of [1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol (CID 11439875) is [1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is CS(=O)(=O)c1ccc(-c2cc(CO)nn2C2CCCCCCC2)cc1.
What is the InChIKey of [1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
The InChIKey is WQGQTFVBTHEUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-25(23,24)18-11-9-15(10-12-18)19-13-16(14-22)20-21(19)17-7-5-3-2-4-6-8-17/h9-13,17,22H,2-8,14H2,1H3.
What are the key properties of [1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol?
[1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol has a molecular weight of 362.50 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclooctyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 11439875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).