9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C17H27N3O2 — CID 72890068

IUPAC9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCc1c(C)nn(CCN2CC3(CCOC3)CCC2=O)c1C
InChIInChI=1S/C17H27N3O2/c1-4-15-13(2)18-20(14(15)3)9-8-19-11-17(6-5-16(19)21)7-10-22-12-17/h4-12H2,1-3H3
InChIKeyNCLPSYJZPYPZGO-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.09
Rot. Bonds4

About 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72890068) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72890068
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCc1c(C)nn(CCN2CC3(CCOC3)CCC2=O)c1C
InChIInChI=1S/C17H27N3O2/c1-4-15-13(2)18-20(14(15)3)9-8-19-11-17(6-5-16(19)21)7-10-22-12-17/h4-12H2,1-3H3
InChIKeyNCLPSYJZPYPZGO-UHFFFAOYSA-N
XLogP2.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72890068) is 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is CCc1c(C)nn(CCN2CC3(CCOC3)CCC2=O)c1C.
What is the InChIKey of 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is NCLPSYJZPYPZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-15-13(2)18-20(14(15)3)9-8-19-11-17(6-5-16(19)21)7-10-22-12-17/h4-12H2,1-3H3.
What are the key properties of 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 305.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72890068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).