5-AMINO-1-(4-NITRO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

The 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-nitrophenyl)-, ethyl ester, with CAS registry number 16459-35-1, has the systematic name of ethyl 5-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate. Its molecular weight is 276.25. And the chemical formula of this chemical is C₁₂H₁₂N₄O₄.

Physical properties of 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-nitrophenyl)-, ethyl ester: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.89; (6)ACD/BCF (pH 7.4): 55.89; (7)ACD/KOC (pH 5.5): 619.92; (8)ACD/KOC (pH 7.4): 619.92; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 93.18 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 69.38 cm³; (15)Molar Volume: 189.3 cm³; (16)Polarizability: 27.5×10^-24cm³; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.45 g/cm³; (19)Flash Point: 234.1 °C; (20)Enthalpy of Vaporization: 72.47 kJ/mol; (21)Boiling Point: 463.5 °C at 760 mmHg; (22)Vapour Pressure: 9.06E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-nitrophenyl)-, ethyl ester irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed, so do not breathe dust. 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-][N+](=O)c2ccc(n1ncc(c1N)C(=O)OCC)cc2
(2)InChI: InChI=1/C12H12N4O4/c1-2-20-12(17)10-7-14-15(11(10)13)8-3-5-9(6-4-8)16(18)19/h3-7H,2,13H2,1H3
(3)InChIKey: IQYXMFOQGPEJHU-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H12N4O4/c1-2-20-12(17)10-7-14-15(11(10)13)8-3-5-9(6-4-8)16(18)19/h3-7H,2,13H2,1H3
(5)Std. InChIKey: IQYXMFOQGPEJHU-UHFFFAOYSA-N