1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole

C14H22N2O2 — CID 123289657

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole
SMILESCCc1cn(C2CCC3(CC2)OCCO3)nc1C
InChIInChI=1S/C14H22N2O2/c1-3-12-10-16(15-11(12)2)13-4-6-14(7-5-13)17-8-9-18-14/h10,13H,3-9H2,1-2H3
InChIKeyLUJAHWXTKIRHBY-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.61
Rot. Bonds2

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole

1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole (PubChem CID 123289657) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole
PubChem CID123289657
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole
SMILESCCc1cn(C2CCC3(CC2)OCCO3)nc1C
InChIInChI=1S/C14H22N2O2/c1-3-12-10-16(15-11(12)2)13-4-6-14(7-5-13)17-8-9-18-14/h10,13H,3-9H2,1-2H3
InChIKeyLUJAHWXTKIRHBY-UHFFFAOYSA-N
XLogP2.61
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole (CID 123289657) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole is CCc1cn(C2CCC3(CC2)OCCO3)nc1C.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole?
The InChIKey is LUJAHWXTKIRHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12-10-16(15-11(12)2)13-4-6-14(7-5-13)17-8-9-18-14/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole has a molecular weight of 250.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-ethyl-3-methylpyrazole is sourced from PubChem (CID 123289657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).