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33064-24-3

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Basic Information
CAS No.: 33064-24-3
Name: 5-(4-METHOXYPHENYL)-1-PHENYL-1H-PYRAZOLE
Article Data: 10
Molecular Structure:
Molecular Structure of 33064-24-3 (5-(4-METHOXYPHENYL)-1-PHENYL-1H-PYRAZOLE)
Formula: C16H14N2O
Molecular Weight: 250.3
Synonyms: 5-(4-METHOXYPHENYL)-1-PHENYL-1H-PYRAZOLE
Density: 1.109 g/cm3
Boiling Point: 410.927 °C at 760 mmHg
Flash Point: 202.322 °C
PSA: 27.05000
LogP: 3.54790
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Specification

The 1H-Pyrazole,5-(4-methoxyphenyl)-1-phenyl- has CAS registry number 33064-24-3. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C16H14N2O and molecular weight is 250.30. What's more, its IUPAC name is 5-(4-methoxyphenyl)-1-phenylpyrazole.

Physical properties of 1H-Pyrazole,5-(4-methoxyphenyl)-1-phenyl- are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 754; (6)ACD/BCF (pH 7.4): 754; (7)ACD/KOC (pH 5.5): 3992; (8)ACD/KOC (pH 7.4): 3992; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 27.05 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 76.85 cm3; (15)Molar Volume: 225.781 cm3; (16)Polarizability: 30.466×10-24cm3; (17)Surface Tension: 41.556 dyne/cm; (18)Density: 1.109 g/cm3; (19)Flash Point: 202.322 °C; (20)Enthalpy of Vaporization: 63.755 kJ/mol; (21)Boiling Point: 410.927 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)c3ccnn3c2ccccc2
(2)Std. InChI: InChI=1S/C16H14N2O/c1-19-15-9-7-13(8-10-15)16-11-12-17-18(16)14-5-3-2-4-6-14/h2-12H,1H3
(3)Std. InChIKey: NGLHBXFISSPJDX-UHFFFAOYSA-N