2-[2,4-Bis(2-Methylbutan-2-Yl)Phenoxy]-N-[4-(5-Oxo-3-Pyrrolidin-1-Yl-4H-Pyrazol-1-Yl)Phenyl]Butanamide Hydrochloride
[CAS# 130381-20-3]

Identification

• Name: 2-[2,4-Bis(2-Methylbutan-2-Yl)Phenoxy]-N-[4-(5-Oxo-3-Pyrrolidin-1-Yl-4H-Pyrazol-1-Yl)Phenyl]Butanamide Hydrochloride
• Synonyms: 2-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]-N-[4-(5-Oxo-3-Pyrrolidin-1-Yl-4H-Pyrazol-1-Yl)Phenyl]Butanamide Hydrochloride; 2-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]-N-[4-(5-Oxo-3-1-Pyrrolidinyl-4H-Pyrazol-1-Yl)Phenyl]Butanamide Hydrochloride; 2-(2,4-Ditert-Amylphenoxy)-N-[4-(5-Keto-3-Pyrrolidin-1-Yl-4H-Pyrazol-1-Yl)Phenyl]Butyramide Hydrochloride
• Molecular Formula: C₃₃H₄₇ClN₄O₃
• Molecular Weight: 583.21
• CAS Registry Number: 130381-20-3
• SMILES: [H+].C1=C(C(CC)(C)C)C=CC(=C1C(CC)(C)C)OC(CC)C(=O)NC4=CC=C(N3N=C(N2CCCC2)CC3=O)C=C4.[Cl-]
• InChI: 1S/C33H46N4O3.ClH/c1-8-27(40-28-18-13-23(32(4,5)9-2)21-26(28)33(6,7)10-3)31(39)34-24-14-16-25(17-15-24)37-30(38)22-29(35-37)36-19-11-12-20-36;/h13-18,21,27H,8-12,19-20,22H2,1-7H3,(H,34,39);1H
• InChIKey: ZDUFZWKYXOUSRK-UHFFFAOYSA-N

Properties

• Boiling point: 701.6°C at 760 mmHg (Cal.)
• Flash point: 378.1°C (Cal.)