3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole

C13H20N2O2 — CID 169320917

IUPAC3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole
SMILESCc1cc(C2CCC3(CC2)OCCO3)nn1C
InChIInChI=1S/C13H20N2O2/c1-10-9-12(14-15(10)2)11-3-5-13(6-4-11)16-7-8-17-13/h9,11H,3-8H2,1-2H3
InChIKeyNERNFOGKDSERDN-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.13
Rot. Bonds1

About 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole

3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole (PubChem CID 169320917) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole
PubChem CID169320917
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole
SMILESCc1cc(C2CCC3(CC2)OCCO3)nn1C
InChIInChI=1S/C13H20N2O2/c1-10-9-12(14-15(10)2)11-3-5-13(6-4-11)16-7-8-17-13/h9,11H,3-8H2,1-2H3
InChIKeyNERNFOGKDSERDN-UHFFFAOYSA-N
XLogP2.13
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,4-Dioxaspiro[4.5]decan-3-yl)-1-methyl-3-propan-2-ylpyrazole
CID 155538187
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-5-(1,4-dioxaspiro[4.5]decan-8-yl)-3-(trifluoromethyl)pyrazole
CID 168907169
1-Tert-butyl-3-(1,4-dioxaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)pyrazole
CID 168907217
5-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 168907330
1-(1,4-dioxa-spiro[4.5]dec-8-yl)-3,5-diisopropyl-1H-pyrazole
CID 58256813
1,3-Dimethyl-5-(oxan-4-yl)pyrazole
CID 116856825
3-Ethyl-5-(3-methoxy-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazole
CID 123185213
3-Ethyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-propan-2-ylpyrazole
CID 123191055
2-Methyl-1-[[6-(5-methyl-2-propan-2-ylpyrazol-3-yl)-3-bicyclo[3.1.0]hexanyl]oxy]propan-2-ol
CID 123282631
1-(1,4-Dioxaspiro[4.5]decan-8-yl)-3,5-dimethylpyrazole
CID 129139590

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole?
The IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole (CID 169320917) is 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole?
The canonical SMILES for 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole is Cc1cc(C2CCC3(CC2)OCCO3)nn1C.
What is the InChIKey of 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole?
The InChIKey is NERNFOGKDSERDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-9-12(14-15(10)2)11-3-5-13(6-4-11)16-7-8-17-13/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole?
3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole has a molecular weight of 236.31 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole is sourced from PubChem (CID 169320917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).