1H-Pyrazole-4-carboxylicacid, 1-phenyl- (1134-50-5)

The 1-Phenyl-1H-pyrazole-4-carboxylic acid with the cas number 1134-50-5 is also called 1H-Pyrazole-4-carboxylicacid, 1-phenyl-. The IUPAC name is 1-phenylpyrazole-4-carboxylic acid. Its molecular formula is C₁₀H₈N₂O₂. This chemical is irritant. While using this chemical, you should be very cautious. 

The properties of the chemical are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): -1.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 52.24 cm³; (15)Molar Volume: 146.5 cm³; (16)Polarizability: 20.71×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Enthalpy of Vaporization: 66.21 kJ/mol; (19)Vapour Pressure: 1.93×10^-6 mmHg at 25°C.

Preparation: This chemical can be prepared by 1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester. This reaction needs reagent 2 N sodium hydroxide and solvent ethanol at temperature of 90 °C. The reaction time is 30 min. The yield is 99%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cn(nc1)c2ccccc2
(2)InChI: InChI=1/C10H8N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H,(H,13,14)
(3)InChIKey: ZROILLPDIUNLSE-UHFFFAOYAR

The toxicity data is as follows: