5-AMINO-4-CARBETHOXY-1-PHENYLPYRAZOLE

This chemical is called Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate, and its systematic name is 1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester. With the molecular formula of C₁₂H₁₃N₃O₂ , its molecular weight is 231.25. The CAS registry number of this chemical is 16078-71-0, and its product categories are Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Pyrazoles. In additon, this chemical is white to light yellow crystalline flakes.

Other characteristics of the Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate can be summarised as followings: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.17; (6)ACD/BCF (pH 7.4): 44.17; (7)ACD/KOC (pH 5.5): 523.83; (8)ACD/KOC (pH 7.4): 523.84; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 47.36 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 63.72 cm³; (15)Molar Volume: 183.9 cm³; (16)Polarizability: 25.26×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 186.7 °C; (20)Enthalpy of Vaporization: 63.38 kJ/mol; (21)Boiling Point: 385.1 °C at 760 mmHg; (22)Vapour Pressure: 3.9E-06 mmHg at 25°C.

Production method of this chemical: The 5-amino-1-phenyl-1H-pyrazole-4-carboxylate could be obtained by the reactants of phenylhydrazine and (E)-3-ethoxy-2-cyano-acrylic acid ethyl ester. This reaction needs the solvent of ethanol. The yield is 99 %. In addition, this reaction should be taken for 12 hours. The other condition is heating.

Uses of this chemical: The 5-amino-1-phenyl-1H-pyrazole-4-carboxylic acid could be obtained by the reactant of Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate. This reaction needs the reagent of NaOH, and the solvent of ethanol. The yield is 75 %. In addition, this reaction should be taken for 12 hours, and the other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. Wear suitable gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(OCC)c2cnn(c1ccccc1)c2N
2.InChI: InChI=1/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
3.InChIKey: AYJIUOZKKTUKKD-UHFFFAOYAT

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 500mg/kg (500mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS	National Technical Information Service. Vol. OTS0543073,