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16459-47-5

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Basic Information
CAS No.: 16459-47-5
Name: 5-METHYL-2-(4-NITROPHENYL)-2H-PYRAZOL-3-YLAMINE
Article Data: 3
Molecular Structure:
Molecular Structure of 16459-47-5 (5-METHYL-2-(4-NITROPHENYL)-2H-PYRAZOL-3-YLAMINE)
Formula: C10H10N4O2
Molecular Weight: 218.215
Synonyms: 3-Methyl-1-(4-nitrophenyl)-1h-pyrazol-5-amine;5-Methyl-2-(4-nitrophenyl)-2H-pyrazol-3-ylamine;3-Methyl-1-(4-nitrophenyl)pyrazole-5-ylamine;
Density: 1.42 g/cm3
Melting Point: 159 °C
Boiling Point: 421.6 °C at 760 mmHg
Flash Point: 208.8 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 89.66000
LogP: 2.77550
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Specification

The 1H-Pyrazol-5-amine,3-methyl-1-(4-nitrophenyl)-, with the CAS registry number 16459-47-5, is also known as 3-Methyl-1-(4-nitrophenyl)-1h-pyrazol-5-amine. This chemical's molecular formula is C10H10N4O2 and molecular weight is 218.21. What's more, its IUPAC name is 5-methyl-2-(4-nitrophenyl)pyrazol-3-amine.

Physical properties of 1H-Pyrazol-5-amine,3-methyl-1-(4-nitrophenyl)- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 66.88 Å2; (7)Index of Refraction: 1.679; (8)Molar Refractivity: 57.93 cm3; (9)Molar Volume: 153.3 cm3; (10)Polarizability: 22.96×10-24cm3; (11)Surface Tension: 61.7 dyne/cm; (12)Density: 1.42 g/cm3; (13)Flash Point: 208.8 °C; (14)Enthalpy of Vaporization: 67.57 kJ/mol; (15)Boiling Point: 421.6 °C at 760 mmHg; (16)Vapour Pressure: 2.57E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(n1nc(cc1N)C)cc2
(2)Std. InChI: InChI=1S/C10H10N4O2/c1-7-6-10(11)13(12-7)8-2-4-9(5-3-8)14(15)16/h2-6H,11H2,1H3
(3)Std. InChIKey: TVXCGEBTCKIPNH-UHFFFAOYSA-N