The CAS register number of 5-Pyrazolecarboxylic acid is 1621-91-6. It also can be called as Pyrazole-3-carboxylic acid and the IUPAC name about this chemical is 1H-pyrazole-5-carboxylic acid. The molecular formula about this chemical is C₄H₄N₂O₂ and the molecular weight is 112.09. It belongs to the following product categories, such as Acids and Derivatives; Heterocycles; Pyrazole series; API intermediates and so on. This chemical is stable under normal temperature and pressure. If you want to store this chemical, please keep container closed and store in a cool, dry place, you also need avoid contact with oxides.

Physical properties about 5-Pyrazolecarboxylic acid are: (1)ACD/LogP: -0.01; (2)ACD/LogD (pH 5.5): -1.73; (3)ACD/LogD (pH 7.4): -3.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 44.12Ų; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 25.7 cm³; (14)Molar Volume: 73.5 cm³; (15)Polarizability: 10.19x10^-24cm³; (16)Surface Tension: 84.9 dyne/cm; (17)Enthalpy of Vaporization: 70.69 kJ/mol; (18)Boiling Point: 417.1 °C at 760 mmHg; (19)Vapour Pressure: 1.05E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-methyl-1(2)H-pyrazole. This reaction will need reagent KMnO₄ and solvent H₂O. The yield is about 50%.

Uses of 5-Pyrazolecarboxylic acid: it can be used to produce dipyrazolo[1,5-a;1',5'-d]pyrazine-4,9-dione. This reaction is a kind of Condensation. It will need reagent SOCl₂.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccnn1
(2)InChI: InChI=1/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)
(3)InChIKey: KOPFEFZSAMLEHK-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8)
(5)Std. InChIKey: KOPFEFZSAMLEHK-UHFFFAOYSA-N