9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C17H26N4O3 — CID 56900031

IUPAC9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1c(C)nn(CC(=O)N2CCCC3(CN(C)C(=O)O3)C2)c1C
InChIInChI=1S/C17H26N4O3/c1-5-14-12(2)18-21(13(14)3)9-15(22)20-8-6-7-17(11-20)10-19(4)16(23)24-17/h5-11H2,1-4H3
InChIKeyNOGWFHOKLQWENQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.51
Rot. Bonds3

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

9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56900031) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56900031
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCc1c(C)nn(CC(=O)N2CCCC3(CN(C)C(=O)O3)C2)c1C
InChIInChI=1S/C17H26N4O3/c1-5-14-12(2)18-21(13(14)3)9-15(22)20-8-6-7-17(11-20)10-19(4)16(23)24-17/h5-11H2,1-4H3
InChIKeyNOGWFHOKLQWENQ-UHFFFAOYSA-N
XLogP1.51
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-3-yl)acetamide
CID 72891932
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-3-yl)acetamide
CID 72915432
8-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-(1-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70708580
1-{2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl}-3,4,5-trimethyl-1H-pyrazole
CID 74243529
8-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-1-oxa-8-azaspiro[4.5]decane
CID 56866736
2-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyethyl)-2-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 91842274
Tert-butyl4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carboxylate
CID 4766952
Tert-butyl 4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazine-1-carboxylate
CID 34019309
1-[4-(2-Oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 39461796
Tert-butyl 4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperazine-1-carboxylate
CID 40134755
2-[4-(Aminomethyl)-3,5-dimethylpyrazol-1-yl]-1-morpholin-4-ylethanone
CID 43647522

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56900031) is 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCc1c(C)nn(CC(=O)N2CCCC3(CN(C)C(=O)O3)C2)c1C.
What is the InChIKey of 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is NOGWFHOKLQWENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-5-14-12(2)18-21(13(14)3)9-15(22)20-8-6-7-17(11-20)10-19(4)16(23)24-17/h5-11H2,1-4H3.
What are the key properties of 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 334.42 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56900031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).