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802919-05-7

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Basic Information
CAS No.: 802919-05-7
Name: 4,5-Bis(4-methoxyphenyl)-1H-pyrazol-3-amine
Article Data: 3
Molecular Structure:
Molecular Structure of 802919-05-7 (4,5-Bis(4-methoxyphenyl)-1H-pyrazol-3-amine)
Formula: C17H17N3O2
Molecular Weight: 295.33
Synonyms: 1H-pyrazol-3-amine, 4,5-bis(4-methoxyphenyl)-;
Density: 1.221 g/cm3
Boiling Point: 504.4 °C at 760 mmHg
Flash Point: 258.8 °C
PSA: 73.16000
LogP: 3.92430
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Specification

The 4,5-Bis(4-methoxyphenyl)-1H-pyrazol-3-amine, with the CAS registry number 802919-05-7, is also known as 1H-Pyrazol-3-amine, 4,5-bis(4-methoxyphenyl)-. This chemical's molecular formula is C17H17N3O2 and molecular weight is 295.33. Its systematic name is called 4,5-bis(4-methoxyphenyl)-1H-pyrazol-3-amine.

Physical properties of 4,5-Bis(4-methoxyphenyl)-1H-pyrazol-3-amine: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 6.6; (6)ACD/BCF (pH 7.4): 7.2; (7)ACD/KOC (pH 5.5): 131.02; (8)ACD/KOC (pH 7.4): 142.99; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 85.55 cm3; (14)Molar Volume: 241.8 cm3; (15)Surface Tension: 51.2 dyne/cm; (16)Density: 1.221 g/cm3; (17)Flash Point: 258.8 °C; (18)Enthalpy of Vaporization: 77.38 kJ/mol; (19)Boiling Point: 504.4 °C at 760 mmHg; (20)Vapour Pressure: 2.67E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c3ccc(c2c(nnc2c1ccc(OC)cc1)N)cc3)C
(2)InChI: InChI=1/C17H17N3O2/c1-21-13-7-3-11(4-8-13)15-16(19-20-17(15)18)12-5-9-14(22-2)10-6-12/h3-10H,1-2H3,(H3,18,19,20)
(3)InChIKey: WSZUHKNALYOOHS-UHFFFAOYAM