1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole

C17H28N2O2 — CID 58256813

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cc(C(C)C)n(C2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C17H28N2O2/c1-12(2)15-11-16(13(3)4)19(18-15)14-5-7-17(8-6-14)20-9-10-21-17/h11-14H,5-10H2,1-4H3
InChIKeyZWDRVJXDLSEDHQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.99
Rot. Bonds3

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole

1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole (PubChem CID 58256813) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole
PubChem CID58256813
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole
SMILESCC(C)c1cc(C(C)C)n(C2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C17H28N2O2/c1-12(2)15-11-16(13(3)4)19(18-15)14-5-7-17(8-6-14)20-9-10-21-17/h11-14H,5-10H2,1-4H3
InChIKeyZWDRVJXDLSEDHQ-UHFFFAOYSA-N
XLogP3.99
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,4-Dioxaspiro[4.5]decan-8-yl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 168906982
5-(1,4-Dioxaspiro[4.5]decan-8-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 168907074
1-Tert-butyl-3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)pyrazole
CID 168907217
3,5-Diisopropyl-1-[cis-4-(3-pyrrolidin-1-yl-propoxy)-cyclohexyl]-1H-pyrazole
CID 24782775
cis-4-(3,5-Diisopropyl-pyrazol-1-yl)-cyclohexanol
CID 58256803
3,5-Di(propan-2-yl)-1-[1-(3-pyrrolidin-1-ylpropoxy)cyclohexyl]pyrazole
CID 67414649
1-Cyclohexyl-3-[5-(2,6-dimethyloxan-4-yl)pentyl]-5-methylpyrazole
CID 71168496
4-(3-Methyl-5-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol
CID 122630979
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole
CID 129139590
4-[3,5-Di(propan-2-yl)pyrazol-1-yl]cyclohexan-1-ol;methanol
CID 140140979
5-(2,2-Dimethyl-1,3-dioxan-5-yl)-1-ethyl-3-methylpyrazole
CID 141187687
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-5-ethyl-4-methylpyrazole
CID 144280199

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole (CID 58256813) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole is CC(C)c1cc(C(C)C)n(C2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole?
The InChIKey is ZWDRVJXDLSEDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)15-11-16(13(3)4)19(18-15)14-5-7-17(8-6-14)20-9-10-21-17/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,5-di(propan-2-yl)pyrazole has a molecular weight of 292.42 g/mol, XLogP of 3.99, 3 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)-3,5-di(propan-2-yl)pyrazole is sourced from PubChem (CID 58256813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).