3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

C15H25N3O2 — CID 131641032

IUPAC3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(Cc3cnn(C)c3)CC2)C1
InChIInChI=1S/C15H25N3O2/c1-3-19-14-8-15(20-12-14)4-6-18(7-5-15)11-13-9-16-17(2)10-13/h9-10,14H,3-8,11-12H2,1-2H3
InChIKeyJFOQNNVKNAYXMF-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.58
Rot. Bonds4

About 3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane

3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 131641032) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID131641032
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC1COC2(CCN(Cc3cnn(C)c3)CC2)C1
InChIInChI=1S/C15H25N3O2/c1-3-19-14-8-15(20-12-14)4-6-18(7-5-15)11-13-9-16-17(2)10-13/h9-10,14H,3-8,11-12H2,1-2H3
InChIKeyJFOQNNVKNAYXMF-UHFFFAOYSA-N
XLogP1.58
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane (CID 131641032) is 3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane is CCOC1COC2(CCN(Cc3cnn(C)c3)CC2)C1.
What is the InChIKey of 3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is JFOQNNVKNAYXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-19-14-8-15(20-12-14)4-6-18(7-5-15)11-13-9-16-17(2)10-13/h9-10,14H,3-8,11-12H2,1-2H3.
What are the key properties of 3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane?
3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 279.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131641032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).