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

C14H24N2O — CID 89498102

IUPAC1-[[1-(2-methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole
SMILESCOCCC1(Cn2nccc2C)CCCCC1
InChIInChI=1S/C14H24N2O/c1-13-6-10-15-16(13)12-14(9-11-17-2)7-4-3-5-8-14/h6,10H,3-5,7-9,11-12H2,1-2H3
InChIKeyRMKRCHBQKGOHLA-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.18
Rot. Bonds5

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

1-[[1-(2-methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole (PubChem CID 89498102) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole
PubChem CID89498102
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[[1-(2-methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole
SMILESCOCCC1(Cn2nccc2C)CCCCC1
InChIInChI=1S/C14H24N2O/c1-13-6-10-15-16(13)12-14(9-11-17-2)7-4-3-5-8-14/h6,10H,3-5,7-9,11-12H2,1-2H3
InChIKeyRMKRCHBQKGOHLA-UHFFFAOYSA-N
XLogP3.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.18
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)cyclohexyl]methyl]-5-methylpyrazole?
The IUPAC name of 1-[[1-(2-methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole (CID 89498102) is 1-[[1-(2-methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole?
The canonical SMILES for 1-[[1-(2-methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole is COCCC1(Cn2nccc2C)CCCCC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole?
The InChIKey is RMKRCHBQKGOHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13-6-10-15-16(13)12-14(9-11-17-2)7-4-3-5-8-14/h6,10H,3-5,7-9,11-12H2,1-2H3.
What are the key properties of 1-[[1-(2-methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole?
1-[[1-(2-methoxyethyl)cyclohexyl]methyl]-5-methylpyrazole has a molecular weight of 236.36 g/mol, XLogP of 3.18, 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)cyclohexyl]methyl]-5-methylpyrazole is sourced from PubChem (CID 89498102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).