1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol

C17H18N2O2 — CID 105130023

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol
SMILESCOc1cnn(C)c1C(O)Cc1cccc2ccccc12
InChIInChI=1S/C17H18N2O2/c1-19-17(16(21-2)11-18-19)15(20)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11,15,20H,10H2,1-2H3
InChIKeyXBTJGFZTERHEOR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol

1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol (PubChem CID 105130023) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol
PubChem CID105130023
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol
SMILESCOc1cnn(C)c1C(O)Cc1cccc2ccccc12
InChIInChI=1S/C17H18N2O2/c1-19-17(16(21-2)11-18-19)15(20)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11,15,20H,10H2,1-2H3
InChIKeyXBTJGFZTERHEOR-UHFFFAOYSA-N
XLogP2.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol
CID 105129959
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
1-(4-methoxy-1-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129939
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
CID 114643133
1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol
CID 114635516
1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129886
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methylphenyl)ethanol
CID 114643227
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
CID 114648841
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634621
[2-(2-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105206986
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195307

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol (CID 105130023) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol is COc1cnn(C)c1C(O)Cc1cccc2ccccc12.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol?
The InChIKey is XBTJGFZTERHEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-17(16(21-2)11-18-19)15(20)10-13-8-5-7-12-6-3-4-9-14(12)13/h3-9,11,15,20H,10H2,1-2H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol?
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol has a molecular weight of 282.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol is sourced from PubChem (CID 105130023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).