1H-Pyrazole-4-carbonitrile,5-amino-1-(1,1-dimethylethyl)-3-(phenylmethyl)- supplier

Name
5-Amino-1-tert-butyl-3-phenylmethyl-4-cyanopyrazole
EINECS
CAS No. 158001-18-4
Density 1.11 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₈N₄
Boiling Point 431.7 °C at 760 mmHg
Molecular Weight 254.33
Flash Point 214.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Amino-3-benzyl-1-tert-butyl-1H-pyrazole-4-carbonitrile;5-Amino-1-tert-butyl-3-phenylmethyl-4-cyanopyrazole;
PSA 67.63000
LogP 3.26398

1H-Pyrazole-4-carbonitrile,5-amino-1-(1,1-dimethylethyl)-3-(phenylmethyl)- Specification

The 1H-Pyrazole-4-carbonitrile,5-amino-1-(1,1-dimethylethyl)-3-(phenylmethyl)- is an organic compound with the formula C₁₅H₁₈N₄. The systematic name of this chemical is 5-Amino-3-benzyl-1-tert-butyl-1H-pyrazole-4-carbonitrile. With the CAS registry number 158001-18-4, it is also named as 5-Amino-1-tert-butyl-3-phenylmethyl-4-cyanopyrazole. Besides, its molecular weight is 254.33. It can be used as a selective tyrosine kinase inhibitor.

The physical properties of 1H-Pyrazole-4-carbonitrile,5-amino-1-(1,1-dimethylethyl)-3-(phenylmethyl)- are: (1)ACD/LogP: 2.57; (2)ACD/LogD (pH 5.5): 2.57; (3)ACD/LogD (pH 7.4): 2.57; (4)ACD/BCF (pH 5.5): 52.76; (5)ACD/BCF (pH 7.4): 52.76; (6)ACD/KOC (pH 5.5): 594.85; (7)ACD/KOC (pH 7.4): 594.87; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 67.63 Å²; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 77.39 cm³; (14)Molar Volume: 228.9 cm³; (15)Polarizability: 30.68×10^-24 cm³; (16)Surface Tension: 42.4 dyne/cm; (17)Density: 1.11 g/cm³; (18)Flash Point: 214.9 °C; (19)Enthalpy of Vaporization: 68.74 kJ/mol; (20)Boiling Point: 431.7 °C at 760 mmHg; (21)Vapour Pressure: 1.17E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)n2nc(Cc1ccccc1)c(C#N)c2N
(2)InChI: InChI=1/C15H18N4/c1-15(2,3)19-14(17)12(10-16)13(18-19)9-11-7-5-4-6-8-11/h4-8H,9,17H2,1-3H3
(3)InChIKey: BUSKUEBIZUJLMJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C15H18N4/c1-15(2,3)19-14(17)12(10-16)13(18-19)9-11-7-5-4-6-8-11/h4-8H,9,17H2,1-3H3
(5)Std. InChIKey: BUSKUEBIZUJLMJ-UHFFFAOYSA-N

Product Name

5-Amino-1-tert-butyl-3-phenylmethyl-4-cyanopyrazole

1H-Pyrazole-4-carbonitrile,5-amino-1-(1,1-dimethylethyl)-3-(phenylmethyl)- Specification

Related Products

Hot Products