7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

C16H22N4O4 — CID 70730830

IUPAC7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCCOCCn1nc(C)cc1C(=O)N1CCC2(CC(=O)NC2=O)C1
InChIInChI=1S/C16H22N4O4/c1-3-24-7-6-20-12(8-11(2)18-20)14(22)19-5-4-16(10-19)9-13(21)17-15(16)23/h8H,3-7,9-10H2,1-2H3,(H,17,21,23)
InChIKeyYFQKQDAIOQKLBH-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.11
Rot. Bonds5

About 7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 70730830) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID70730830
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCCOCCn1nc(C)cc1C(=O)N1CCC2(CC(=O)NC2=O)C1
InChIInChI=1S/C16H22N4O4/c1-3-24-7-6-20-12(8-11(2)18-20)14(22)19-5-4-16(10-19)9-13(21)17-15(16)23/h8H,3-7,9-10H2,1-2H3,(H,17,21,23)
InChIKeyYFQKQDAIOQKLBH-UHFFFAOYSA-N
XLogP0.11
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 70730830) is 7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is CCOCCn1nc(C)cc1C(=O)N1CCC2(CC(=O)NC2=O)C1.
What is the InChIKey of 7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is YFQKQDAIOQKLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-3-24-7-6-20-12(8-11(2)18-20)14(22)19-5-4-16(10-19)9-13(21)17-15(16)23/h8H,3-7,9-10H2,1-2H3,(H,17,21,23).
What are the key properties of 7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 334.38 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 70730830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).