Diethyl 3,5-pyrazoledicarboxylate

The 1H-Pyrazole-3,5-dicarboxylicacid, 3,5-diethyl ester, with CAS registry number 37687-24-4, belongs to the following product categories: (1)Aromatic Esters; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Pyrazoles. It has the systematic name of diethyl 1H-pyrazole-3,5-dicarboxylate. This chemical is a kind of slightly yellow crystalline powder. And the chemical formula of this chemical is C₉H₁₂N₂O₄.

Physical properties of 1H-Pyrazole-3,5-dicarboxylicacid, 3,5-diethyl ester: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 9.83; (6)ACD/BCF (pH 7.4): 8.17; (7)ACD/KOC (pH 5.5): 178.59; (8)ACD/KOC (pH 7.4): 148.42; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 70.42 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 51.58 cm³; (15)Molar Volume: 169.7 cm³; (16)Polarizability: 20.45×10^-24cm³; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.249 g/cm³; (19)Flash Point: 173 °C; (20)Enthalpy of Vaporization: 60.84 kJ/mol; (21)Boiling Point: 362.5 °C at 760 mmHg; (22)Vapour Pressure: 1.93E-05 mmHg at 25°C.

Uses of 1H-Pyrazole-3,5-dicarboxylicacid, 3,5-diethyl ester: it can be used to produce 1H-pyrazole-3,5-dicarboxylic acid diethyl ester. This reaction will need reagent bromine. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
The 1H-Pyrazole-3,5-dicarboxylicacid, 3,5-diethyl ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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)c1nnc(C(=O)OCC)c1
(2)InChI: InChI=1/C9H12N2O4/c1-3-14-8(12)6-5-7(11-10-6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)
(3)InChIKey: MBWXLICVQZUJOW-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H12N2O4/c1-3-14-8(12)6-5-7(11-10-6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)
(5)Std. InChIKey: MBWXLICVQZUJOW-UHFFFAOYSA-N