2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide

C18H19N3O3 — CID 131892168

IUPAC2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc(-n3cccn3)c2)C2(CCCC2)O1
InChIInChI=1S/C18H19N3O3/c22-16-12-15(18(24-16)7-1-2-8-18)17(23)20-13-5-3-6-14(11-13)21-10-4-9-19-21/h3-6,9-11,15H,1-2,7-8,12H2,(H,20,23)
InChIKeyNFXFNGMUJPJTNN-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.69
Rot. Bonds3

About 2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide

2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 131892168) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID131892168
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1CC(C(=O)Nc2cccc(-n3cccn3)c2)C2(CCCC2)O1
InChIInChI=1S/C18H19N3O3/c22-16-12-15(18(24-16)7-1-2-8-18)17(23)20-13-5-3-6-14(11-13)21-10-4-9-19-21/h3-6,9-11,15H,1-2,7-8,12H2,(H,20,23)
InChIKeyNFXFNGMUJPJTNN-UHFFFAOYSA-N
XLogP2.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of 2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide (CID 131892168) is 2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for 2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide is O=C1CC(C(=O)Nc2cccc(-n3cccn3)c2)C2(CCCC2)O1.
What is the InChIKey of 2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is NFXFNGMUJPJTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-16-12-15(18(24-16)7-1-2-8-18)17(23)20-13-5-3-6-14(11-13)21-10-4-9-19-21/h3-6,9-11,15H,1-2,7-8,12H2,(H,20,23).
What are the key properties of 2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide?
2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 131892168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).