3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole

C18H28N2O2 — CID 155541838

IUPAC3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
SMILESCn1nc(C2CCCCC2)cc1C1COC2(CCCCC2)O1
InChIInChI=1S/C18H28N2O2/c1-20-16(12-15(19-20)14-8-4-2-5-9-14)17-13-21-18(22-17)10-6-3-7-11-18/h12,14,17H,2-11,13H2,1H3
InChIKeyXJJSPUJLNGGDOP-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.22
Rot. Bonds2

About 3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole

3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole (PubChem CID 155541838) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
PubChem CID155541838
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
SMILESCn1nc(C2CCCCC2)cc1C1COC2(CCCCC2)O1
InChIInChI=1S/C18H28N2O2/c1-20-16(12-15(19-20)14-8-4-2-5-9-14)17-13-21-18(22-17)10-6-3-7-11-18/h12,14,17H,2-11,13H2,1H3
InChIKeyXJJSPUJLNGGDOP-UHFFFAOYSA-N
XLogP4.22
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole?
The IUPAC name of 3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole (CID 155541838) is 3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole.
What is the SMILES notation for 3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole?
The canonical SMILES for 3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole is Cn1nc(C2CCCCC2)cc1C1COC2(CCCCC2)O1.
What is the InChIKey of 3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole?
The InChIKey is XJJSPUJLNGGDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20-16(12-15(19-20)14-8-4-2-5-9-14)17-13-21-18(22-17)10-6-3-7-11-18/h12,14,17H,2-11,13H2,1H3.
What are the key properties of 3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole?
3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole has a molecular weight of 304.43 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole is sourced from PubChem (CID 155541838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).