9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C16H24N4O4 — CID 56882347

IUPAC9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCOCCn1nc(C)cc1C(=O)N1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C16H24N4O4/c1-3-23-8-7-20-13(9-12(2)18-20)14(21)19-6-4-5-16(11-19)10-17-15(22)24-16/h9H,3-8,10-11H2,1-2H3,(H,17,22)
InChIKeyDLSCZDICOIJRNV-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.94
Rot. Bonds5

About 9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56882347) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56882347
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCOCCn1nc(C)cc1C(=O)N1CCCC2(CNC(=O)O2)C1
InChIInChI=1S/C16H24N4O4/c1-3-23-8-7-20-13(9-12(2)18-20)14(21)19-6-4-5-16(11-19)10-17-15(22)24-16/h9H,3-8,10-11H2,1-2H3,(H,17,22)
InChIKeyDLSCZDICOIJRNV-UHFFFAOYSA-N
XLogP0.94
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70730830
(5R)-9-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95716220
9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77080948
(5R)-9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99928590
9-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77095524
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]methanone
CID 72911785
[(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95726530
[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97203880
9-[2-(hydroxymethyl)-3H-benzimidazole-5-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56908215
(5R)-9-[3-(5-methyltetrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95719140
9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 155508952
(2-ethyl-5-methylpyrazol-3-yl)-[(3S,5R)-3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97494089

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56882347) is 9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCOCCn1nc(C)cc1C(=O)N1CCCC2(CNC(=O)O2)C1.
What is the InChIKey of 9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is DLSCZDICOIJRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-3-23-8-7-20-13(9-12(2)18-20)14(21)19-6-4-5-16(11-19)10-17-15(22)24-16/h9H,3-8,10-11H2,1-2H3,(H,17,22).
What are the key properties of 9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 336.39 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56882347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).