1H-Pyrazol-3-amine,5-(4-methylphenyl)- supplier

Name
5-Amino-3-(4-methylphenyl)pyrazole
EINECS
CAS No. 151293-15-1
Article Data7
CAS DataBase
Density 1.196 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁N₃
Boiling Point 438 °C at 760 mmHg
Molecular Weight 173.217
Flash Point 248.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(4-Methylphenyl)-1H-pyrazol-5-amine;5-(4-Methylphenyl)-1h-pyrazol-3-amine;
PSA 54.70000
LogP 2.54850

1H-Pyrazol-3-amine,5-(4-methylphenyl)- Specification

The 1H-Pyrazol-3-amine,5-(4-methylphenyl)-, with the CAS registry number 151293-15-1, is also known as 3-(4-Methylphenyl)-1H-pyrazol-5-amine. This chemical's molecular formula is C₁₀H₁₁N₃ and molecular weight is 173.21. What's more, its IUPAC name is 5-(4-methylphenyl)-1H-pyrazol-3-amine.

Physical properties of 1H-Pyrazol-3-amine,5-(4-methylphenyl)- are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 0.97; (5)ACD/BCF (pH 5.5): 3.09; (6)ACD/BCF (pH 7.4): 3.24; (7)ACD/KOC (pH 5.5): 77.09; (8)ACD/KOC (pH 7.4): 80.72; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 52.43 cm³; (15)Molar Volume: 144.8 cm³; (16)Polarizability: 20.78×10^-24cm³; (17)Surface Tension: 56.9 dyne/cm; (18)Density: 1.196 g/cm³; (19)Flash Point: 248.8 °C; (20)Enthalpy of Vaporization: 69.47 kJ/mol; (21)Boiling Point: 438 °C at 760 mmHg; (22)Vapour Pressure: 7.15E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(cc(c1ccc(cc1)C)n2)N
(2)Std. InChI: InChI=1S/C10H11N3/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)
(3)Std. InChIKey: GVPFRVKDBZWRCZ-UHFFFAOYSA-N

Product Name

5-Amino-3-(4-methylphenyl)pyrazole

1H-Pyrazol-3-amine,5-(4-methylphenyl)- Specification

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