1H-Pyrazol-4-amine (28466-26-4)

The CAS register number of 4-Amino-1H-pyrazole is 28466-26-4. It also can be called as 4-Aminopyrazole and the Systematic name about this chemical is 1H-pyrazol-4-amine.

Physical properties about 4-Amino-1H-pyrazole are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5.83; (5)ACD/KOC (pH 7.4): 6.079; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 54.7Ų; (10)Index of Refraction: 1.648; (11)Molar Refractivity: 23.013 cm³; (12)Molar Volume: 63.26 cm³; (13)Surface Tension: 76.131 dyne/cm; (14)Density: 1.313 g/cm³; (15)Flash Point: 182.569 °C; (16)Enthalpy of Vaporization: 57.746 kJ/mol; (17)Boiling Point: 334.493 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: c1c(cn[nH]1)N
2.InChI: InChI=1/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6) 
3.InChIKey: AXINVSXSGNSVLV-UHFFFAOYAB
4.Std. InChI: InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)

The following are the toxicity data which has been tested.