1-(1-adamantyl)-4-bromo-N-(4-methylphenyl)pyrazole-3-carboxamide

Base Information

• Chemical Name: 1-(1-adamantyl)-4-bromo-N-(4-methylphenyl)pyrazole-3-carboxamide
• CAS No.: 5812-64-6
• Molecular Formula: C21H24BrN3O
• Molecular Weight: 414.3388
• DSSTox Substance ID: DTXSID20386732
• Wikidata: Q82180363
• Mol file: 5812-64-6.mol

Synonyms:1-(1-adamantyl)-4-bromo-N-(4-methylphenyl)pyrazole-3-carboxamide;5812-64-6;Oprea1_129957;DTXSID20386732

Chemical Property of 1-(1-adamantyl)-4-bromo-N-(4-methylphenyl)pyrazole-3-carboxamide

Chemical Property:

• Vapor Pressure: 1.39E-09mmHg at 25°C
• Boiling Point: 485.6°Cat760mmHg
• Flash Point: 247.5°C
• Density: 1.57g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 413.11027
• Heavy Atom Count: 26
• Complexity: 518

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN(C=C2Br)C34CC5CC(C3)CC(C5)C4