N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-iodo-N-propan-2-ylbenzamide

CAS: 81217-10-9

Molecular Formula	`C21H22IN3O2`
Molecular Weight	475.3 g/mol
LogP	4.7
Topological Polar Surface Area	43.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	475.07568
Heavy Atoms	27
Complexity	613.0

Chemical Identifiers

CAS Number	81217-10-9
SMILES	`CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(C)C)C(=O)C3=CC(=CC=C3)I`
InChIKey	`FBDZDNSHYGOELZ-UHFFFAOYSA-N`

📖 Product Overview

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-iodo-N-propan-2-ylbenzamide (CAS: 81217-10-9) is a chemical compound with molecular formula C21H22IN3O2 and molecular weight 475.3 g/mol. Its IUPAC systematic name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-iodo-N-propan-2-ylbenzamide. LogP 4.7 Topological Polar Surface Area 43.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 475.07568 Heavy Atoms 27 Complexity 613.0 InChI Key: FBDZDNSHYGOELZ-UHFFFAOYSA-N. SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(C)C)C(=O)C3=CC(=CC=C3)I.

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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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