Pyrazolo[1,5-a]pyrimidin-7(4H)-one supplier

Name
4H-PYRAZOLO[1,5-A]PYRIMIDIN-7-ONE
EINECS
CAS No. 29274-23-5
Article Data11
CAS DataBase
Density 1.511 g/cm³
Solubility
Melting Point
Formula C₆H₅N₃O
Boiling Point 297.644 °C at 760 mmHg
Molecular Weight 135.125
Flash Point 133.811 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazolo[1,5-a]pyrimidin-7-one;
PSA 50.42000
LogP 0.43490

Pyrazolo[1,5-a]pyrimidin-7(4H)-one Specification

The systematic name of this chemical is pyrazolo[1,5-a]pyrimidin-7(4H)-one and the CAS registry number is 29274-23-5. It is an organic compound with the formula C₆H₅N₃O. The molecular weight is 135.13. In addition, people should be careful when using this chemical.

The other characteristics of Pyrazolo[1,5-a]pyrimidin-7(4H)-one can be summarized as: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 7; (6)ACD/KOC (pH 7.4): 7; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 46.92 Å²; (11)Index of Refraction: 1.739; (12)Molar Refractivity: 36.01 cm³; (13)Molar Volume: 89.418 cm³; (14)Polarizability: 14.276×10^-24 cm³; (15)Surface Tension: 66.89 dyne/cm; (16)Density: 1.511 g/cm³; (17)Flash Point: 133.811 °C; (18)Enthalpy of Vaporization: 53.751 kJ/mol; (19)Boiling Point: 297.644 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C2/C=C\Nc1ccnn12
2. InChI:InChI=1/C6H5N3O/c10-6-2-3-7-5-1-4-8-9(5)6/h1-4,7H
3. InChIKey:NOSYRIKBTPXMRH-UHFFFAOYAR
4. Std. InChI:InChI=1S/C6H5N3O/c10-6-2-3-7-5-1-4-8-9(5)6/h1-4,7H
5. Std. InChIKey:NOSYRIKBTPXMRH-UHFFFAOYSA-N

Product Name

4H-PYRAZOLO[1,5-A]PYRIMIDIN-7-ONE

Pyrazolo[1,5-a]pyrimidin-7(4H)-one Specification

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