5-Propyl-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-Pyrazolo[5,1-b]Pyrimidin-7-One
[CAS# 151327-02-5]

Identification

• Name: 5-Propyl-6-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-Pyrazolo[5,1-b]Pyrimidin-7-One
• Synonyms: 5-Propyl-6-[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Benzyl]-1H-Pyrazolo[5,1-B]Pyrimidin-7-One; 5-Propyl-6-[[4-[2-(2H-1,2,3,4-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-1H-Pyrazolo[5,1-B]Pyrimidin-7-One; Pyrazolo(1,5-A)Pyrimidin-7-Ol, 5-Propyl-6-((2'-(1H-Tetrazol-5-Yl)(1,1'-Biphenyl)-4-Yl)Methyl)-, Dihydrate
• Molecular Formula: C₂₃H₂₁N₇O
• Molecular Weight: 411.47
• CAS Registry Number: 151327-02-5
• SMILES: C3=C(CC2=C(N=C1N(NC=C1)C2=O)CCC)C=CC(=C3)C4=CC=CC=C4C5=N[NH]N=N5
• InChI: 1S/C23H21N7O/c1-2-5-20-19(23(31)30-21(25-20)12-13-24-30)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-4,6-13,24H,2,5,14H2,1H3,(H,26,27,28,29)
• InChIKey: GGUUKODYFCMXQJ-UHFFFAOYSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 656.83°C at 760 mmHg (Cal.)
• Flash point: 351.039°C (Cal.)