METHYL 4-(5-METHYL-1H-PYRAZOL-3-YL)PHENYL ETHER

The 1H-Pyrazole,3-(4-methoxyphenyl)-5-methyl-, with the CAS registry number of 23263-96-9, is also known as Methyl 4-(5-methyl-1h-pyrazol-3-yl)phenyl ether. This chemical's molecular formula is C₁₁H₁₂N₂O and molecular weight is 188.23. What's more, its IUPAC name is 3-(4-Methoxyphenyl)-5-methyl-1H-pyrazole.

Physical properties about the 1H-Pyrazole,3-(4-methoxyphenyl)-5-methyl- are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.72; (6)ACD/BCF (pH 7.4): 35.98; (7)ACD/KOC (pH 5.5): 448.98; (8)ACD/KOC (pH 7.4): 452.29; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.05 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 54.87 cm³; (15)Molar Volume: 166.5 cm³; (16)Surface Tension: 43.9 dyne/cm; (17)Density: 1.13 g/cm³; (18)Flash Point: 134.7 °C; (19)Enthalpy of Vaporization: 59.22 kJ/mol; (20)Boiling Point: 369.6 °C at 760 mmHg; (21)Vapour Pressure: 2.49E-05 mmHg at 25 °C.

Preparation: this chemical is prepared by 1-(4-Methoxy-phenyl)-butane-1,3-dione. The reaction needs reagent Hydrazine dihydrochloride and solvent H₂O. The reaction time is 1 h. The yield is about 42 %.

 
Uses: it is used to produce other chemicals. For example, it is used to produce [3-(4-Methoxy-phenyl)-5-methyl-pyrazol-1-yl]-methanol. This reaction needs solvent H₂O. The reaction time is 6 h. The yield is about 46 %.

 
You can still convert the following datas into molecular structure:
(1) SMILES: O(c2ccc(c1nnc(c1)C)cc2)C
(2) InChI: InChI=1/C11H12N2O/c1-8-7-11(13-12-8)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)
(3) InChIKey: HTQPUPKIHDBCEP-UHFFFAOYAR