3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole

C13H18N2O2 — CID 169321039

IUPAC3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole
SMILESCc1cc(C2=CCC3(CC2)OCCO3)nn1C
InChIInChI=1S/C13H18N2O2/c1-10-9-12(14-15(10)2)11-3-5-13(6-4-11)16-7-8-17-13/h3,9H,4-8H2,1-2H3
InChIKeyVUDAETMCAKTFQV-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.04
Rot. Bonds1

About 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole

3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole (PubChem CID 169321039) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole
PubChem CID169321039
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole
SMILESCc1cc(C2=CCC3(CC2)OCCO3)nn1C
InChIInChI=1S/C13H18N2O2/c1-10-9-12(14-15(10)2)11-3-5-13(6-4-11)16-7-8-17-13/h3,9H,4-8H2,1-2H3
InChIKeyVUDAETMCAKTFQV-UHFFFAOYSA-N
XLogP2.04
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.04
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]dec-7-en-8-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 168907042
5-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 168907330
1-(2,2-Difluorocyclopropyl)-3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrazole
CID 166283044
5-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1-methylpyrazole
CID 57606722
4'-(1,5-Dimethylpyrazol-3-yl)spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline]
CID 88940904
3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1-(oxan-2-yl)pyrazole
CID 142729648
3-(1,4-Dioxaspiro[4.5]decan-8-yl)-1,5-dimethylpyrazole
CID 169320917
3-(1,4-Dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole
CID 169321188
3-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-1-ethyl-5-methylpyrazole
CID 169321191
5-(2,5-Dimethylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine
CID 175897438
5-(2-Ethyl-5-methylpyrazol-3-yl)-2-methoxy-3,4-dihydropyridine
CID 175897537

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole?
The IUPAC name of 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole (CID 169321039) is 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole?
The canonical SMILES for 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole is Cc1cc(C2=CCC3(CC2)OCCO3)nn1C.
What is the InChIKey of 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole?
The InChIKey is VUDAETMCAKTFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-9-12(14-15(10)2)11-3-5-13(6-4-11)16-7-8-17-13/h3,9H,4-8H2,1-2H3.
What are the key properties of 3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole?
3-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,5-dimethylpyrazole has a molecular weight of 234.30 g/mol, XLogP of 2.04, 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]dec-7-en-8-yl)-1,5-dimethylpyrazole is sourced from PubChem (CID 169321039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).