8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione

C20H23N3O3 — CID 90903261

IUPAC8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCOC1CCC2(CC1)NC(=O)C(n1nc(-c3ccccc3)cc1C)C2=O
InChIInChI=1S/C20H23N3O3/c1-13-12-16(14-6-4-3-5-7-14)22-23(13)17-18(24)20(21-19(17)25)10-8-15(26-2)9-11-20/h3-7,12,15,17H,8-11H2,1-2H3,(H,21,25)
InChIKeyGPFJQPDSKMOKAC-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.43
Rot. Bonds3

About 8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione

8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 90903261) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione
PubChem CID90903261
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione
SMILESCOC1CCC2(CC1)NC(=O)C(n1nc(-c3ccccc3)cc1C)C2=O
InChIInChI=1S/C20H23N3O3/c1-13-12-16(14-6-4-3-5-7-14)22-23(13)17-18(24)20(21-19(17)25)10-8-15(26-2)9-11-20/h3-7,12,15,17H,8-11H2,1-2H3,(H,21,25)
InChIKeyGPFJQPDSKMOKAC-UHFFFAOYSA-N
XLogP2.43
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione (CID 90903261) is 8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione is COC1CCC2(CC1)NC(=O)C(n1nc(-c3ccccc3)cc1C)C2=O.
What is the InChIKey of 8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is GPFJQPDSKMOKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-12-16(14-6-4-3-5-7-14)22-23(13)17-18(24)20(21-19(17)25)10-8-15(26-2)9-11-20/h3-7,12,15,17H,8-11H2,1-2H3,(H,21,25).
What are the key properties of 8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione?
8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 353.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(5-methyl-3-phenylpyrazol-1-yl)-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 90903261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).