Basic information
- Name:
1H-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-phenyl-
- Superlist Name:
- 4,5,6,7-Tetrahydro-1-phenyl-1H-pyrazolo[4,3-c]pyridine
- CAS No.:
396133-34-9
- Molecular Structure:
![Molecular Structure of 396133-34-9 (1H-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-phenyl-)](http://www.lookchem.com/300w/2010/079/396133-34-9.jpg)
- Formula:
- C12H13N3
- Molecular Weight:
- 199.25
- Synonyms:
- 1-Phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;1-Phenyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;4,5,6,7-Tetrahydro-1-phenyl-1H-pyrazolo[4,3-c]pyridine;
- Density:
- 1.242 g/cm3
- Boiling Point:
- 358.41 °C at 760 mmHg
- Flash Point:
- 170.56 °C
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Specification
The 1H-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-phenyl-, with the CAS registry number 396133-34-9, is also known as 4,5,6,7-Tetrahydro-1-phenyl-1H-pyrazolo[4,3-c]pyridine. This chemical's molecular formula is C12H13N3 and molecular weight is 199.25. What's more, its systematic name is 1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
Physical properties of 1H-Pyrazolo[4,3-c]pyridine,4,5,6,7-tetrahydro-1-phenyl- are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 3; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.85 Å2; (11)Index of Refraction: 1.675; (12)Molar Refractivity: 60.264 cm3; (13)Molar Volume: 160.437 cm3; (14)Polarizability: 23.89×10-24 cm3; (15)Surface Tension: 50.138 dyne/cm; (16)Density: 1.242 g/cm3; (17)Flash Point: 170.56 °C; (18)Enthalpy of Vaporization: 60.389 kJ/mol; (19)Boiling Point: 358.41 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1NCCc2c1cnn2c3ccccc3
(2)InChI: InChI=1/C12H13N3/c1-2-4-11(5-3-1)15-12-6-7-13-8-10(12)9-14-15/h1-5,9,13H,6-8H2
(3)InChIKey: RPKPHRFHSJZLOR-UHFFFAOYAQ
