7-Chloropyrazolo[1,5-a]pyrimidine

The 7-Chloropyrazolo[1,5-a]pyrimidine, with the CAS registry number 58347-49-2, is also known as Pyrazolo[1,5-a]pyrimidine, 7-chloro-. This chemical's molecular formula is C₆H₄ClN₃ and molecular weight is 153.57. What's more, its systematic name is 7-chloropyrazolo[1,5-a]pyrimidine.

Physical properties of 7-Chloropyrazolo[1,5-a]pyrimidine are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 3.43; (6)ACD/BCF (pH 7.4): 3.43; (7)ACD/KOC (pH 5.5): 84.09; (8)ACD/KOC (pH 7.4): 84.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19 Å²; (13)Index of Refraction: 1.712; (14)Molar Refractivity: 39.75 cm³; (15)Molar Volume: 101.4 cm³; (16)Polarizability: 15.76×10^-24cm³; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.51 g/cm³.

Preparation: this chemical can be prepared by 4H-pyrazolo[1,5-a]pyrimidin-7-one when it is heated. This reaction will need reagent N,N-dimethylaniline, POCl₃ with the reaction time of 3 hours. The yield is about 60%.

Uses of 7-Chloropyrazolo[1,5-a]pyrimidine: it can be used to produce 4H-pyrazolo[1,5-a]pyrimidine-7-thione when it is heated. It will need reagent thiourea and solvent ethanol with the reaction time of 5 hours. The yield is about 56%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccnc1ccnn12
(2)Std. InChI: InChI=1S/C6H4ClN3/c7-5-1-3-8-6-2-4-9-10(5)6/h1-4H
(3)Std. InChIKey: YCZQHXPIKQHABJ-UHFFFAOYSA-N