1H-Pyrazole,3-(4-methoxyphenyl)-5-phenyl- supplier

Name
5-(4-methoxyphenyl)-3-phenyl-1H-pyrazole
EINECS
CAS No. 32664-28-1
Article Data32
CAS DataBase
Density 1.161 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₄N₂O
Boiling Point 472.6 °C at 760 mmHg
Molecular Weight 250.3
Flash Point 168.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-Methoxy-phenyl)-5-phenyl-1H-pyrazole;
PSA
LogP

1H-Pyrazole,3-(4-methoxyphenyl)-5-phenyl- Specification

The 1H-Pyrazole,3-(4-methoxyphenyl)-5-phenyl-, with the CAS registry number 32664-28-1, is also known as 3-(4-Methoxy-phenyl)-5-phenyl-1H-pyrazole. This chemical's molecular formula is C₁₆H₁₄N₂O and molecular weight is 250.30. What's more, its systematic name is 5-(4-methoxyphenyl)-3-phenyl-1H-pyrazole.

Physical properties of 1H-Pyrazole,3-(4-methoxyphenyl)-5-phenyl- are: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.93; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 574.49; (6)ACD/BCF (pH 7.4): 574.74; (7)ACD/KOC (pH 5.5): 3285.78; (8)ACD/KOC (pH 7.4): 3287.25; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.05 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 74.63 cm³; (15)Molar Volume: 215.5 cm³; (16)Polarizability: 29.58×10^-24cm³; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.161 g/cm³; (19)Flash Point: 168.8 °C; (20)Enthalpy of Vaporization: 70.75 kJ/mol; (21)Boiling Point: 472.6 °C at 760 mmHg; (22)Vapour Pressure: 1.2E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c3ccc(c1cc(nn1)c2ccccc2)cc3)C
(2)Std. InChI: InChI=1S/C16H14N2O/c1-19-14-9-7-13(8-10-14)16-11-15(17-18-16)12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)
(3)Std. InChIKey: LEFIXAQPASZFND-UHFFFAOYSA-N

Product Name

5-(4-methoxyphenyl)-3-phenyl-1H-pyrazole

1H-Pyrazole,3-(4-methoxyphenyl)-5-phenyl- Specification

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