[1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol

C18H18N2O3S — CID 1474368

IUPAC[1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol
SMILESCc1ccc(S(=O)(=O)c2c(CO)c(-c3ccccc3)nn2C)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-8-10-15(11-9-13)24(22,23)18-16(12-21)17(19-20(18)2)14-6-4-3-5-7-14/h3-11,21H,12H2,1-2H3
InChIKeyXTESZNSYJJGDQR-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.72
Rot. Bonds4

About [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol

[1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol (PubChem CID 1474368) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol
PubChem CID1474368
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name[1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol
SMILESCc1ccc(S(=O)(=O)c2c(CO)c(-c3ccccc3)nn2C)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-8-10-15(11-9-13)24(22,23)18-16(12-21)17(19-20(18)2)14-6-4-3-5-7-14/h3-11,21H,12H2,1-2H3
InChIKeyXTESZNSYJJGDQR-UHFFFAOYSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{1-methyl-5-[(4-methylphenyl)sulfanyl]-3-phenyl-1H-pyrazol-4-yl}methanol
CID 2763766
[1-methyl-3-phenyl-5-(phenylsulfanyl)-1H-pyrazol-4-yl]methanol
CID 2763922
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
3-[1-Cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propan-1-ol
CID 11382897
[1-Cycloheptyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 11439465
2-[1-Cyclohexyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanol
CID 11175483
[1-Cyclopentyl-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 11198005
[1-(1,1-Dioxothian-4-yl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 11292051
[1-(2,6-Dimethylheptan-4-yl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 11326428

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol?
The IUPAC name of [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol (CID 1474368) is [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol is Cc1ccc(S(=O)(=O)c2c(CO)c(-c3ccccc3)nn2C)cc1.
What is the InChIKey of [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol?
The InChIKey is XTESZNSYJJGDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-8-10-15(11-9-13)24(22,23)18-16(12-21)17(19-20(18)2)14-6-4-3-5-7-14/h3-11,21H,12H2,1-2H3.
What are the key properties of [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol?
[1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol has a molecular weight of 342.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(4-methylphenyl)sulfonyl-3-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 1474368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).