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4H-Pyrazolo[3,4-d]pyrimidin-4-one,1-(4-chlorophenyl)-1,5-dihydro-

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Name

4H-Pyrazolo[3,4-d]pyrimidin-4-one,1-(4-chlorophenyl)-1,5-dihydro-

EINECS N/A
CAS No. 5334-29-2 Density 1.58g/cm3
PSA 63.57000 LogP 1.76220
Solubility N/A Melting Point >300 °C
Formula C19H23FN2 Boiling Point 421.8 °C at 760 mmHg
Molecular Weight 246.656 Flash Point 208.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 5334-29-2 (1-(4-CHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-OL) Hazard Symbols Xn
Synonyms

1H-Pyrazolo[3,4-d]pyrimidin-4-ol,1-(p-chlorophenyl)- (6CI,7CI,8CI);1-p-Chlorophenyl-4-hydroxypyrazolo[3,4-d]pyrimidine;NSC 1400;

Article Data 6

4H-Pyrazolo[3,4-d]pyrimidin-4-one,1-(4-chlorophenyl)-1,5-dihydro- Specification

The 4H-Pyrazolo[3,4-d]pyrimidin-4-one,1-(4-chlorophenyl)-1,5-dihydro-, with CAS registry number 5334-29-2, has the systematic name of 1-(4-chlorophenyl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one. Besides this, it is also called 1-(4-Chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-ol. And the chemical formula of this chemical is C19H23FN2.

Physical properties of 4H-Pyrazolo[3,4-d]pyrimidin-4-one,1-(4-chlorophenyl)-1,5-dihydro-: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 48.27 Å2; (7)Index of Refraction: 1.761; (8)Molar Refractivity: 64.16 cm3; (9)Molar Volume: 155.7 cm3; (10)Polarizability: 25.43×10-24cm3; (11)Surface Tension: 65.2 dyne/cm; (12)Density: 1.58 g/cm3; (13)Flash Point: 208.9 °C; (14)Enthalpy of Vaporization: 67.59 kJ/mol; (15)Boiling Point: 421.8 °C at 760 mmHg; (16)Vapour Pressure: 2.53E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccc(N/2N\C=C1/C\2=N\C=N/C1=O)cc3
(2)InChI: InChI=1/C11H7ClN4O/c12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10/h1-6,15H
(3)InChIKey: YZWXEGWANXJLIE-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C11H7ClN4O/c12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10/h1-6,15H
(5)Std. InChIKey: YZWXEGWANXJLIE-UHFFFAOYSA-N

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