N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)butanamide

CAS: 81217-03-0

Molecular Formula	`C23H22N4O4`
Molecular Weight	418.4 g/mol
LogP	3.0
Topological Polar Surface Area	90.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	418.1641
Heavy Atoms	31
Complexity	792.0

Chemical Identifiers

CAS Number	81217-03-0
SMILES	`CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)N3C(=O)C4=CC=CC=C4C3=O`
InChIKey	`ZCSBLODOKMSEQP-UHFFFAOYSA-N`

📖 Product Overview

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)butanamide (CAS: 81217-03-0) is a chemical compound with molecular formula C23H22N4O4 and molecular weight 418.4 g/mol. Its IUPAC systematic name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)butanamide. LogP 3.0 Topological Polar Surface Area 90.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 418.1641 Heavy Atoms 31 Complexity 792.0 InChI Key: ZCSBLODOKMSEQP-UHFFFAOYSA-N. SMILES: CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)N3C(=O)C4=CC=CC=C4C3=O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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