5-AMINO-3-METHYL-1-P-TOLYLPYRAZOLE

The 1H-Pyrazol-5-amine,3-methyl-1-(4-methylphenyl)-, with the CAS registry number 62535-60-8, is also known as 3-Methyl-1-(4-methylphenyl)-1H-pyrazol-5-amine. Its EINECS number is 263-586-9. This chemical's molecular formula is C₁₁H₁₃N₃ and molecular weight is 187.24. What's more, its IUPAC name is 5-methyl-2-(4-methylphenyl)pyrazol-3-amine.

Physical properties of 1H-Pyrazol-5-amine,3-methyl-1-(4-methylphenyl)- are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 11.8; (6)ACD/BCF (pH 7.4): 12.66; (7)ACD/KOC (pH 5.5): 199.54; (8)ACD/KOC (pH 7.4): 214.09; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 56.69 cm³; (15)Molar Volume: 163.1 cm³; (16)Polarizability: 22.47×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 161 °C; (20)Enthalpy of Vaporization: 58.64 kJ/mol; (21)Boiling Point: 342.6 °C at 760 mmHg; (22)Vapour Pressure: 7.44E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-amino-but-2-enenitrile; p-tolyl-hydrazine and hydrochloride when they are heated. This reaction will need reagent conc. HCl and solvents H₂O; ethanol with the reaction time of 4 hours. The yield is about 62%.

Uses of 1H-Pyrazol-5-amine,3-methyl-1-(4-methylphenyl)-: it can be used to produce 5-methyl-4-nitroso-2-p-tolyl-2H-pyrazol-3-ylamine. It will need reagents ethyl nitrite, 10 percent aq. HCl and solvent ethanol with the reaction time of 30 min. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cc(n1c2ccc(cc2)C)N)C
(2)Std. InChI: InChI=1S/C11H13N3/c1-8-3-5-10(6-4-8)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3
(3)Std. InChIKey: WQUNBEPKWJLYJD-UHFFFAOYSA-N