2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide

C20H16N4O4 — CID 17341637

IUPAC2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)NC3=NN(c4ccccc4)C(=O)C3)cc2C1=O
InChIInChI=1S/C20H16N4O4/c1-2-23-19(27)14-9-8-12(10-15(14)20(23)28)18(26)21-16-11-17(25)24(22-16)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,21,22,26)
InChIKeyIUFUQFDJWJRRCC-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.78
Rot. Bonds3

About 2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide

2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide (PubChem CID 17341637) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide
PubChem CID17341637
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)NC3=NN(c4ccccc4)C(=O)C3)cc2C1=O
InChIInChI=1S/C20H16N4O4/c1-2-23-19(27)14-9-8-12(10-15(14)20(23)28)18(26)21-16-11-17(25)24(22-16)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,21,22,26)
InChIKeyIUFUQFDJWJRRCC-UHFFFAOYSA-N
XLogP1.78
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylbutyl)-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide
CID 17341640
4-fluoro-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)benzamide
CID 4086322
1-ethyl-3-(5-oxo-1-phenyl-4H-pyrazol-3-yl)urea
CID 131879882
5-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3511151
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
N-(3,5-dichloro-4-hydroxyphenyl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17342556
N-(1,3-dioxoisoindol-5-yl)-2-ethyl-1,3-dioxoisoindole-5-carboxamide
CID 17172105
N-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 17341622
2-benzyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32604284
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-piperidin-1-ylacetamide
CID 25020981
2-ethyl-1,3-dioxoisoindole-5-carboxylate
CID 3638476
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2,2-diphenylacetamide
CID 17341544

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide?
The IUPAC name of 2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide (CID 17341637) is 2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide.
What is the SMILES notation for 2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide?
The canonical SMILES for 2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide is CCN1C(=O)c2ccc(C(=O)NC3=NN(c4ccccc4)C(=O)C3)cc2C1=O.
What is the InChIKey of 2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide?
The InChIKey is IUFUQFDJWJRRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-2-23-19(27)14-9-8-12(10-15(14)20(23)28)18(26)21-16-11-17(25)24(22-16)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3,(H,21,22,26).
What are the key properties of 2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide?
2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide is sourced from PubChem (CID 17341637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).