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

C21H24N2O5S — CID 10251337

IUPAC3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol
SMILESCOc1ccc(-n2nc(COCCCO)cc2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H24N2O5S/c1-27-19-8-6-18(7-9-19)23-21(14-17(22-23)15-28-13-3-12-24)16-4-10-20(11-5-16)29(2,25)26/h4-11,14,24H,3,12-13,15H2,1-2H3
InChIKeySBYXNZFZKUHLGQ-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.85
Rot. Bonds9

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

3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol (PubChem CID 10251337) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol
PubChem CID10251337
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol
SMILESCOc1ccc(-n2nc(COCCCO)cc2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H24N2O5S/c1-27-19-8-6-18(7-9-19)23-21(14-17(22-23)15-28-13-3-12-24)16-4-10-20(11-5-16)29(2,25)26/h4-11,14,24H,3,12-13,15H2,1-2H3
InChIKeySBYXNZFZKUHLGQ-UHFFFAOYSA-N
XLogP2.85
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxamide
CID 10523251
3-[[5-(4-methylphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl nitrate
CID 68818610
[5-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]methanol
CID 86584958
[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]methanol
CID 22014688
2-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetamide
CID 139817988
[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl methanesulfonate
CID 102024342
1-hydroxy-1-[[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methyl]urea
CID 87973346
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]sulfonylethanol
CID 54319002
[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methanamine
CID 52951388
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine
CID 91872028
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol?
The IUPAC name of 3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol (CID 10251337) is 3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol is COc1ccc(-n2nc(COCCCO)cc2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol?
The InChIKey is SBYXNZFZKUHLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-27-19-8-6-18(7-9-19)23-21(14-17(22-23)15-28-13-3-12-24)16-4-10-20(11-5-16)29(2,25)26/h4-11,14,24H,3,12-13,15H2,1-2H3.
What are the key properties of 3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol?
3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol has a molecular weight of 416.50 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methoxy]propan-1-ol is sourced from PubChem (CID 10251337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).