1H-Pyrazole-1-carboxamide,3,5-dimethyl- (934-48-5)

The 3,5-Dimethylpyrazole-1-carboxamide, with the CAS registry number 934-48-5, has the systematic name of 3,5-dimethyl-1H-pyrazole-1-carboxamide. It belongs to the following product categories: Aromatic Carboxylic Acids; Amides; Anilides; Anhydrides & Salts. And the molecular formula of the chemical is C₆H₉N₃O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): 0.39; (5)ACD/BCF (pH 5.5): 1.17; (6)ACD/BCF (pH 7.4): 1.17; (7)ACD/KOC (pH 5.5): 38.87; (8)ACD/KOC (pH 7.4): 38.87; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.13 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 37.04 cm³; (15)Molar Volume: 108.2 cm³; (16)Polarizability: 14.68×10^-24cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 133.3 °C; (20)nthalpy of Vaporization: 53.66 kJ/mol; (21)Boiling Point: 296.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0014 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(n1nc(cc1C)C)N
(2)InChI: InChI=1/C6H9N3O/c1-4-3-5(2)9(8-4)6(7)10/h3H,1-2H3,(H2,7,10)
(3)InChIKey: AKRDSDDYNMVKCX-UHFFFAOYAW