N-(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)-2-Iodo-N-Propan-2-Yl-Benzamide
[CAS# 81217-09-6]

Identification

• Name: N-(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)-2-Iodo-N-Propan-2-Yl-Benzamide
• Synonyms: N-(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)-2-Iodo-N-Isopropyl-Benzamide; N-(1,5-Dimethyl-3-Oxo-2-Phenyl-4-Pyrazolyl)-2-Iodo-N-Isopropylbenzamide; 2-Iodo-N-Isopropyl-N-(3-Keto-1,5-Dimethyl-2-Phenyl-Pyrazol-4-Yl)Benzamide
• Molecular Formula: C₂₁H₂₂IN₃O₂
• Molecular Weight: 475.33
• CAS Registry Number: 81217-09-6
• SMILES: C3=C(N2N(C(=C(N(C(=O)C1=C(I)C=CC=C1)C(C)C)C2=O)C)C)C=CC=C3
• InChI: 1S/C21H22IN3O2/c1-14(2)24(20(26)17-12-8-9-13-18(17)22)19-15(3)23(4)25(21(19)27)16-10-6-5-7-11-16/h5-14H,1-4H3
• InChIKey: KUFHFULDOKDQIS-UHFFFAOYSA-N

Properties

• Density: 1.561g/cm³ (Cal.)
• Boiling point: 534.398°C at 760 mmHg (Cal.)
• Flash point: 276.994°C (Cal.)