1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole

C16H28N2O — CID 89499068

IUPAC1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole
SMILESCOCCC1(Cn2nccc2C)CCCCCCC1
InChIInChI=1S/C16H28N2O/c1-15-8-12-17-18(15)14-16(11-13-19-2)9-6-4-3-5-7-10-16/h8,12H,3-7,9-11,13-14H2,1-2H3
InChIKeyNHIBDMABSGCHLM-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.96
Rot. Bonds5

About 1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole

1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole (PubChem CID 89499068) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole
PubChem CID89499068
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole
SMILESCOCCC1(Cn2nccc2C)CCCCCCC1
InChIInChI=1S/C16H28N2O/c1-15-8-12-17-18(15)14-16(11-13-19-2)9-6-4-3-5-7-10-16/h8,12H,3-7,9-11,13-14H2,1-2H3
InChIKeyNHIBDMABSGCHLM-UHFFFAOYSA-N
XLogP3.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole?
The IUPAC name of 1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole (CID 89499068) is 1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole?
The canonical SMILES for 1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole is COCCC1(Cn2nccc2C)CCCCCCC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole?
The InChIKey is NHIBDMABSGCHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-15-8-12-17-18(15)14-16(11-13-19-2)9-6-4-3-5-7-10-16/h8,12H,3-7,9-11,13-14H2,1-2H3.
What are the key properties of 1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole?
1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole has a molecular weight of 264.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)cyclooctyl]methyl]-5-methylpyrazole is sourced from PubChem (CID 89499068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).