5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole

C15H24N2O2 — CID 155538187

IUPAC5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole
SMILESCC(C)c1cc(C2COC3(CCCCC3)O2)n(C)n1
InChIInChI=1S/C15H24N2O2/c1-11(2)12-9-13(17(3)16-12)14-10-18-15(19-14)7-5-4-6-8-15/h9,11,14H,4-8,10H2,1-3H3
InChIKeyZPFFBBIUIRGFQI-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.29
Rot. Bonds2

About 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole

5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole (PubChem CID 155538187) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole
PubChem CID155538187
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole
SMILESCC(C)c1cc(C2COC3(CCCCC3)O2)n(C)n1
InChIInChI=1S/C15H24N2O2/c1-11(2)12-9-13(17(3)16-12)14-10-18-15(19-14)7-5-4-6-8-15/h9,11,14H,4-8,10H2,1-3H3
InChIKeyZPFFBBIUIRGFQI-UHFFFAOYSA-N
XLogP3.29
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,4-Dioxaspiro[4.6]undecan-3-yl)-1-methyl-3-phenylpyrazole
CID 155510464
3-Cyclopropyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155512954
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-3-phenyl-1-propan-2-ylpyrazole
CID 155518972
3-Cyclopentyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155519188
5-(1,4-Dioxaspiro[4.4]nonan-3-yl)-1-methyl-3-phenylpyrazole
CID 155532952
3-(1-Adamantyl)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155538570
3-Cyclohexyl-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methylpyrazole
CID 155541838
1-(1-Methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol
CID 155543530
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1-methyl-3-(3-methylphenyl)pyrazole
CID 155550795
5-(1,4-dioxaspiro[4.5]decan-3-yl)-3-propan-2-yl-1H-pyrazole
CID 155554685
Het-DPD-13a
CID 155557363
5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1-ethyl-3-phenylpyrazole
CID 155558624

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole (CID 155538187) is 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole is CC(C)c1cc(C2COC3(CCCCC3)O2)n(C)n1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole?
The InChIKey is ZPFFBBIUIRGFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)12-9-13(17(3)16-12)14-10-18-15(19-14)7-5-4-6-8-15/h9,11,14H,4-8,10H2,1-3H3.
What are the key properties of 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole?
5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole has a molecular weight of 264.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole is sourced from PubChem (CID 155538187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).