5-AMINO-1-PHENYLPYRAZOLE

The 5-Amino-1-phenyl-1H-pyrazole is an organic compound with the formula C₉H₉N₃. The IUPAC name of this chemical is 2-phenylpyrazol-3-amine. With the CAS registry number 826-85-7, it is also named as 1H-pyrazol-5-amine, 1-phenyl-.

Physical properties about 5-Amino-1-phenyl-1H-pyrazole are: (1)ACD/LogP: 0.83; (2)ACD/LogD (pH 5.5): 0.83; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 2.52; (5)ACD/BCF (pH 7.4): 2.53; (6)ACD/KOC (pH 5.5): 67.42; (7)ACD/KOC (pH 7.4): 67.67; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 21.06 Å²; (12)Index of Refraction: 1.641; (13)Molar Refractivity: 47.84 cm³; (14)Molar Volume: 132.6 cm³; (15)Polarizability: 18.96×10^-24cm³; (16)Surface Tension: 50.3 dyne/cm; (17)Density: 1.2 g/cm³; (18)Flash Point: 149.2 °C; (19)Enthalpy of Vaporization: 56.51 kJ/mol; (20)Boiling Point: 323.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000267 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-amino-1-phenyl-1H-pyrazole-4-carboxylic acid. The reaction temperature is 250 °C. The yield is about 85%.

Uses of 5-Amino-1-phenyl-1H-pyrazole: it can be used to produce 5-nitro-1-phenyl-1H-pyrazolo[3,4-b]pyridine by heating. It will need reagent AcOH with reaction time of 1 hour. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of 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: n1ccc(n1c2ccccc2)N
(2)InChI: InChI=1/C9H9N3/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H,10H2
(3)InChIKey: ZVNYYNAAEVZNDW-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H9N3/c10-9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H,10H2
(5)Std. InChIKey: ZVNYYNAAEVZNDW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	630mg/kg (630mg/kg)		Farmakologiya i Toksikologiya Vol. 27, Pg. 295, 1964.