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

C14H22N2O2 — CID 169321188

IUPAC3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole
SMILESCCn1nc(C2CCC3(CC2)OCCO3)cc1C
InChIInChI=1S/C14H22N2O2/c1-3-16-11(2)10-13(15-16)12-4-6-14(7-5-12)17-8-9-18-14/h10,12H,3-9H2,1-2H3
InChIKeyMXSUWOXOSPCMDL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.61
Rot. Bonds2

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

3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole (PubChem CID 169321188) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole.

Molecular Properties

Compound Name3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole
PubChem CID169321188
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole
SMILESCCn1nc(C2CCC3(CC2)OCCO3)cc1C
InChIInChI=1S/C14H22N2O2/c1-3-16-11(2)10-13(15-16)12-4-6-14(7-5-12)17-8-9-18-14/h10,12H,3-9H2,1-2H3
InChIKeyMXSUWOXOSPCMDL-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 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole?
The IUPAC name of 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole (CID 169321188) is 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole.
What is the SMILES notation for 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole?
The canonical SMILES for 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole is CCn1nc(C2CCC3(CC2)OCCO3)cc1C.
What is the InChIKey of 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole?
The InChIKey is MXSUWOXOSPCMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16-11(2)10-13(15-16)12-4-6-14(7-5-12)17-8-9-18-14/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole?
3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-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 3-(1,4-dioxaspiro[4.5]decan-8-yl)-1-ethyl-5-methylpyrazole is sourced from PubChem (CID 169321188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).