1,3-Dimethyl-5-pyrazolone

The IUPAC name of this chemical is 2,5-dimethyl-4H-pyrazol-3-one. With the CAS registry number 2749-59-9, it is also named as 2,4-Dihydro-2,5-dimethyl-3H-pyrazol-3-one. The product's categories are Intermediates of Dyes and Pigments; Pyrazole; Pyrazoles & Triazoles. It is yellow solid which should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): -0.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.65; (8)ACD/KOC (pH 7.4): 13.73; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 30.52 cm³; (14)Molar Volume: 95.1 cm³; (15)Polarizability: 12.1×10^-24 cm³; (16)Surface Tension: 38.4 dyne/cm; (17)Enthalpy of Vaporization: 38.85 kJ/mol; (18)Vapour Pressure: 3.62 mmHg at 25°C; (19)Tautomer Count: 3; (20)Exact Mass: 112.063663; (21)MonoIsotopic Mass: 112.063663; (22)Topological Polar Surface Area: 32.7; (23)Heavy Atom Count: 8; (24)Complexity: 151.

Preparation of 3H-Pyrazol-3-one,2,4-dihydro-2,5-dimethyl-: It can be obtained by methylhydrazine and b-pyrrolidinocrotonate d'ethyle. This reaction needs reagent HCl and solvent ethanol at temperature of 25 °C. The reaction time is 175 min. The yield is 57%.

Uses of 3H-Pyrazol-3-one,2,4-dihydro-2,5-dimethyl-: It is used as pesticide intermediate in the synthetize of new acaricide Fenpyroximate. And it can react with thiophene-2-carbonyl chloride to get (5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)-thiophen-2-yl-methanone. This reaction needs reagent calcium hydrode and solvent dioxane by heating. The yield is 93%.

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, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. 

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C1N(/N=C(/C)C1)C
2. InChI:InChI=1/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3H2,1-2H3 
3. InChIKey:NDELSWXIAJLWOU-UHFFFAOYAF