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

C17H18N2O2 — CID 105129959

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol
SMILESCOc1cnn(C)c1C(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O2/c1-19-17(16(21-2)11-18-19)15(20)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11,15,20H,10H2,1-2H3
InChIKeyPMJKHZVMFIZETH-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.86
Rot. Bonds4

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

1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol (PubChem CID 105129959) 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-2-ylethanol.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol
PubChem CID105129959
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol
SMILESCOc1cnn(C)c1C(O)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O2/c1-19-17(16(21-2)11-18-19)15(20)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11,15,20H,10H2,1-2H3
InChIKeyPMJKHZVMFIZETH-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-1-ylethanol
CID 105130023
1-(4-methoxy-1-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129939
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
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-(4-methoxyphenyl)ethanol
CID 114643108
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648396
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195307
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol (CID 105129959) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol is COc1cnn(C)c1C(O)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol?
The InChIKey is PMJKHZVMFIZETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-17(16(21-2)11-18-19)15(20)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11,15,20H,10H2,1-2H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol?
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-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-2-ylethanol is sourced from PubChem (CID 105129959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).