CAS No.54235-29-9,3-aMino-1-Methyl-1H-pyrazol-5-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54235-29-9
Name:	3-aMino-1-Methyl-1H-pyrazol-5-ol

Formula:	C₄H₇N₃O
Molecular Weight:	113.119
Synonyms:	3-Amino-1-methyl-1H-pyrazol-5(4H)-one;
Density:	1.474 g/cm³
Boiling Point:	201.146 °C at 760 mmHg
Flash Point:	75.451 °C
PSA:	63.81000
LogP:	-0.12320

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Specification

The 5-Amino-2-methyl-4H-pyrazol-3-one, with the CAS registry number 54235-29-9, is also known as 3-Amino-1-methyl-1H-pyrazol-5(4H)-one. This chemical's molecular formula is C₄H₇N₃O and molecular weight is 113.1179. What's more, its systematic name is 5-Amino-2-methyl-4H-pyrazol-3-one.

Physical properties about 5-Amino-2-methyl-4H-pyrazol-3-one are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.421; (5)ACD/KOC (pH 7.4): 4.625; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 58.69 Å²; (10)Index of Refraction: 1.651; (11)Molar Refractivity: 28.017 cm³; (12)Molar Volume: 76.75 cm³; (13)Polarizability: 11.107×10^-24 cm³; (14)Surface Tension: 59.52 dyne/cm; (15)Density: 1.474 g/cm³; (16)Flash Point: 75.451 °C; (17)Enthalpy of Vaporization: 43.736 kJ/mol; (18)Boiling Point: 201.146 °C at 760 mmHg; (19)Vapour Pressure: 0.313 mmHg at 25 °C.

Uses of 5-Amino-2-methyl-4H-pyrazol-3-one: it is used to produce other chemicals. For example, it is used to produce 4-(4-Hydroxy-phenyl)-2-methyl-6-(2-oxo-2H-chromen-3-yl)-2, 3a, 4, 5-tetrahydro-pyrazolo[3, 4-b]pyridin-3-one by heating. The reaction needs reagent Piperidine and solvent Ethanol. The reaction time is 6 hours. The yield is about 65 %.

5-Amino-2-methyl-4H-pyrazol-3-one can react with 3-[3-(4-Hydroxy-phenyl)-acryloyl]-chromen-2-one to get 4-(4-Hydroxy-phenyl)-2-methyl-6-(2-oxo-2H-chromen-3-yl)-2,3a,4,5-tetrahydro-pyrazolo[3,4-b]pyridin-3-one.

You can still convert the following datas into molecular structure:
(1) SMILES: CN1C(=O)CC(=N1)N
(2) InChI: InChI=1/C4H7N3O/c1-7-4(8)2-3(5)6-7/h2H2,1H3,(H2,5,6)
(3) InChIKey: XGKOIOPVLYCTRF-UHFFFAOYAQ