1H-Pyrazole-3-carboxylicacid, 5-methyl-, ethyl ester (4027-57-0)

 The 1H-Pyrazole-3-carboxylicacid, 5-methyl-, ethyl ester with the cas number 4027-57-0. It is also called (1)1H-pyrazole-3-carboxylic acid, 5-methyl-, ethyl ester ; (2)1H-Pyrazole-5-carboxylic acid, 3-methyl-, ethyl ester ; (3)Ethyl 3-methyl-1H-pyrazole-5-carboxylate ; (4)Ethyl 5-methyl-1H-pyrazole-3-carboxylate. It belongs to the following product categories: (1)Pyrazole series; (2)Acids and Derivatives; (3)Heterocycles; (4)Esters; (5)Pyrazoles & Triazoles; (6)Pyrazole; (7)Building Blocks; (8)Heterocyclic Building Blocks; (9)Pyrazoles.

Properties of H-Pyrazole-3-carboxylicacid, 5-methyl-, ethyl ester : (1)ACD/LogP: 1.29 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.29 ; (4)ACD/LogD (pH 7.4): 1.29 ; (5)ACD/BCF (pH 5.5): 5.59 ; (6)ACD/BCF (pH 7.4): 5.59 ; (7)ACD/KOC (pH 5.5): 119.33 ; (8)ACD/KOC (pH 7.4): 119.33 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 44.12 Å² ; (13)Index of Refraction: 1.519 ; (14)Molar Refractivity: 40 cm³ ; (15)Molar Volume: 131.6 cm³ ; (16)Polarizability: 15.86 ×10^-24cm³ ; (17)Surface Tension: 46.2 dyne/cm ; (18)Density: 1.171 g/cm³ ; (19)Flash Point: 134.7 °C ; (20)Enthalpy of Vaporization: 53.9 kJ/mol ; (21)Boiling Point: 299.1 °C at 760 mmHg ; (22)Vapour Pressure: 0.00122 mmHg at 25°C

The 1H-Pyrazole-3-carboxylicacid, 5-methyl-, ethyl ester can be obtained from ethyl 2-diazo-3-pentenoate heating for 1 hour(s) in octane under 110 °C. Yield is 88 %.

                                        
The 1H-Pyrazole-3-carboxylicacid, 5-methyl-, ethyl ester can also react with 3-[(2-aminoethyl)-amino]-1-(2-cyanophenoxy)propan-2-ol to get 5-methyl-1(2)H-pyrazole-3-carboxylic acid 2-[3-(2-cyano-phenoxy)-2-hydroxy-propylamino]-ethylamide for 18 hour(s), under 100 °C. Yield is 38 %.
               
                  
You can still convert the following datas into molecular structure :
1. SMILES: O=C(OCC)c1nnc(c1)C
2. InChI: InChI=1/C7H10N2O2/c1-3-11-7(10)6-4-5(2)8-9-6/h4H,3H2,1-2H3,(H,8,9)