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| CAS No.: | 274-71-5 |
|---|---|
| Name: | Pyrazolo[1,5-a]pyrimidine |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C6H5N3 |
| Molecular Weight: | 119.126 |
| Synonyms: | Pyrazolopyrimidine; |
| Density: | 1.294 g/cm3 |
| Melting Point: | 105 °C |
| Risk Codes: | 20/21/22 |
| Safety: | 36/37 |
| PSA: | 30.19000 |
| LogP: | 0.72930 |
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- Total:38 Page 1 of 1 1
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Specification
The Pyrazolo[1,5-a]pyrimidine, with the CAS registry number 274-71-5, is also known as Pyrazolopyrimidine. This chemical's molecular formula is C6H5N3 and molecular weight is 119.12. What's more, its systematic name is pyrazolo[1,5-a]pyrimidine.
Physical properties of Pyrazolo[1,5-a]pyrimidine are: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 35; (8)ACD/KOC (pH 7.4): 35; (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: 1.689; (14)Molar Refractivity: 35.159 cm3; (15)Molar Volume: 92.04 cm3; (16)Polarizability: 13.938×10-24cm3; (17)Surface Tension: 54.475 dyne/cm; (18)Density: 1.294 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cccn2nccc12
(2)Std. InChI: InChI=1S/C6H5N3/c1-3-7-6-2-4-8-9(6)5-1/h1-5H
(3)Std. InChIKey: LDIJKUBTLZTFRG-UHFFFAOYSA-N