1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole

C13H22N2O — CID 89498265

IUPAC1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole
SMILESCOCC1(Cn2nccc2C)CCCCC1
InChIInChI=1S/C13H22N2O/c1-12-6-9-14-15(12)10-13(11-16-2)7-4-3-5-8-13/h6,9H,3-5,7-8,10-11H2,1-2H3
InChIKeyNLPSZRGTDCUMDJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.79
Rot. Bonds4

About 1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole

1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole (PubChem CID 89498265) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole
PubChem CID89498265
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole
SMILESCOCC1(Cn2nccc2C)CCCCC1
InChIInChI=1S/C13H22N2O/c1-12-6-9-14-15(12)10-13(11-16-2)7-4-3-5-8-13/h6,9H,3-5,7-8,10-11H2,1-2H3
InChIKeyNLPSZRGTDCUMDJ-UHFFFAOYSA-N
XLogP2.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole?
The IUPAC name of 1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole (CID 89498265) is 1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole.
What is the SMILES notation for 1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole?
The canonical SMILES for 1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole is COCC1(Cn2nccc2C)CCCCC1.
What is the InChIKey of 1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole?
The InChIKey is NLPSZRGTDCUMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12-6-9-14-15(12)10-13(11-16-2)7-4-3-5-8-13/h6,9H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole?
1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole has a molecular weight of 222.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(methoxymethyl)cyclohexyl]methyl]-5-methylpyrazole is sourced from PubChem (CID 89498265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).