5-Amino-1-tert-butyl-3-(1'-naphthylmethyl)-4-cyanopyrazole supplier

Name
4-Amino-1-tert-butyl-3-(1'-naphthylmethyl)-4-cyanopyrazole
EINECS
CAS No. 221243-77-2
Article Data3
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point
Formula C₁₉H₂₀N₄
Boiling Point 516.4 °C at 760 mmHg
Molecular Weight 304.39
Flash Point 266.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-amino-1-(1,1-dimethylethyl)-3-(1-naphthalenylmethyl)- 1H-Pyrazole-4-carbonitrile 5-amino-1-(tert-butyl)-3-(1-naphthalenylmethyl)- 1H-Pyrazole-4-carbonitrile;5-Amino-1-tert-butyl-3-(1'-naphthylmethyl)-4-cyanopyrazole;
PSA 67.63000
LogP 4.41718

5-Amino-1-tert-butyl-3-(1'-naphthylmethyl)-4-cyanopyrazole Specification

The 5-Amino-1-tert-butyl-3-(1'-naphthylmethyl)-4-cyanopyrazole, with the CAS registry number 221243-77-2, has the systematic name of 5-amino-1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazole-4-carbonitrile. It belongs to the product category of Tyrosine Kinase Inhibitors, and the molecular formula of this chemical is C₁₉H₂₀N₄. In addition, it is a highly potent (IC50=1.5nM) and uniquely specific tyrosine kinase inhibitor of a rationally engineered v-Src tyrosine kinase.

The physical properties of 5-Amino-1-tert-butyl-3-(1'-naphthylmethyl)-4-cyanopyrazole are as following: (1)ACD/LogP: 4.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.96; (4)ACD/LogD (pH 7.4): 4.96; (5)ACD/BCF (pH 5.5): 3436.91; (6)ACD/BCF (pH 7.4): 3436.95; (7)ACD/KOC (pH 5.5): 11824.48; (8)ACD/KOC (pH 7.4): 11824.64; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.85 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 93.27 cm³; (15)Molar Volume: 264.7 cm³; (16)Polarizability: 36.97×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 266.1 °C; (20)Enthalpy of Vaporization: 78.85 kJ/mol; (21)Boiling Point: 516.4 °C at 760 mmHg; (22)Vapour Pressure: 8.99E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(N)n(nc1Cc3c2ccccc2ccc3)C(C)(C)C
(2)InChI: InChI=1/C19H20N4/c1-19(2,3)23-18(21)16(12-20)17(22-23)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,11,21H2,1-3H3
(3)InChIKey: NOYZXFGYSZASPX-UHFFFAOYAE

Product Name

4-Amino-1-tert-butyl-3-(1'-naphthylmethyl)-4-cyanopyrazole

5-Amino-1-tert-butyl-3-(1'-naphthylmethyl)-4-cyanopyrazole Specification

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