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

C17H27N3O2 — CID 56866736

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCC3(CCCO3)CC2)c1C
InChIInChI=1S/C17H27N3O2/c1-4-15-13(2)18-20(14(15)3)12-16(21)19-9-7-17(8-10-19)6-5-11-22-17/h4-12H2,1-3H3
InChIKeyMVGPACGMHFGEOJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.23
Rot. Bonds3

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

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 56866736) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID56866736
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESCCc1c(C)nn(CC(=O)N2CCC3(CCCO3)CC2)c1C
InChIInChI=1S/C17H27N3O2/c1-4-15-13(2)18-20(14(15)3)12-16(21)19-9-7-17(8-10-19)6-5-11-22-17/h4-12H2,1-3H3
InChIKeyMVGPACGMHFGEOJ-UHFFFAOYSA-N
XLogP2.23
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Acetylpiperazin-1-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 72043904
7-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72863989
7-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72890068
7-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72935780
(3R*,4R*)-1-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-4-(2-methoxyethyl)-3-methyl-4-piperidinol
CID 72871937
4-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-2-(trifluoromethyl)morpholine
CID 56871764
1-{2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl}-3,4,5-trimethyl-1H-pyrazole
CID 74243529
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95551761
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95551762
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
CID 56707817
8-[4-(3,5-dimethyl-1H-pyrazol-1-yl)butanoyl]-1-oxa-8-azaspiro[4.5]decane
CID 56868066
7-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56900031

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone (CID 56866736) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone is CCc1c(C)nn(CC(=O)N2CCC3(CCCO3)CC2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is MVGPACGMHFGEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-15-13(2)18-20(14(15)3)12-16(21)19-9-7-17(8-10-19)6-5-11-22-17/h4-12H2,1-3H3.
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 305.42 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 56866736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).