5-Amino-1-tert-butyl-3-(4-methylphenyl)-4-cyanopyrazole

The 1H-Pyrazole-4-carbonitrile,5-amino-1-(1,1-dimethylethyl)-3-(4-methylphenyl)- is an organic compound with the formula C₁₅H₁₈N₄. The systematic name of this chemical is 5-Amino-1-tert-butyl-3-(4-methylphenyl)-1H-pyrazole-4-carbonitrile. With the CAS registry number 186896-24-2, it is also named as 5-Amino-1-(tert-butyl)-3-(p-tolyl)-1H-pyrazole-4-carbonitrile. The categories of the product are Aromatics Compounds; Aromatics; Bases and Related Reagents; Inhibitors; Nucleotides; Protein Kinase Inhibitors and Activators. Besides, its molecular weight is 254.33.

The physical properties of 1H-Pyrazole-4-carbonitrile,5-amino-1-(1,1-dimethylethyl)-3-(4-methylphenyl)- are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.29; (3)ACD/LogD (pH 7.4): 2.29; (4)ACD/BCF (pH 5.5): 32.36; (5)ACD/BCF (pH 7.4): 32.36; (6)ACD/KOC (pH 5.5): 419.29; (7)ACD/KOC (pH 7.4): 419.29; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 44.85 Å²; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 77.2 cm³; (14)Molar Volume: 228 cm³; (15)Polarizability: 30.6×10^-24 cm³; (16)Surface Tension: 40.9 dyne/cm; (17)Density: 1.11 g/cm³; (18)Flash Point: 232.7 °C; (19)Enthalpy of Vaporization: 72.21 kJ/mol; (20)Boiling Point: 461.2 °C at 760 mmHg; (21)Vapour Pressure: 1.09E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2c(N)n(nc2c1ccc(cc1)C)C(C)(C)C
(2)InChI: InChI=1/C15H18N4/c1-10-5-7-11(8-6-10)13-12(9-16)14(17)19(18-13)15(2,3)4/h5-8H,17H2,1-4H3
(3)InChIKey: FDNROCKESXLTQY-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C15H18N4/c1-10-5-7-11(8-6-10)13-12(9-16)14(17)19(18-13)15(2,3)4/h5-8H,17H2,1-4H3
(5)Std. InChIKey: FDNROCKESXLTQY-UHFFFAOYSA-N