1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID

The CAS register number of 1H-Pyrazole-5-carboxylicacid, 1-ethyl-3-methyl- is 50920-65-5. It also can be called as 1-Ethyl-3-methyl-1H-pyrazole-5-carboxylicacid and the systematic name about this chemical is 1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid. The molecular formula about this chemical is C₇H₁₀N₂O₂ and the molecular weight is 154.17. It belongs to the following product categories which include Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Pyrazoles and so on.

Physical properties about 1H-Pyrazole-5-carboxylicacid, 1-ethyl-3-methyl- are: (1)ACD/LogP: 0.84; (2)ACD/LogD (pH 5.5): -1.22; (3)ACD/LogD (pH 7.4): -2.26; (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: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.12 Å²; (12)Index of Refraction: 1.563; (13)Molar Refractivity: 40.59 cm³; (14)Molar Volume: 124.9 cm³; (15)Polarizability: 16.09x10^-24cm³; (16)Surface Tension: 43 dyne/cm; (17)Density: 1.23 g/cm³; (18)Flash Point: 140.4 °C; (19)Enthalpy of Vaporization: 57.99 kJ/mol; (20)Boiling Point: 308.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000293 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. If you want to store this chemical, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed. Please ensure that the workshop is well ventilated or equipped with exhaust device.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(nn1CC)C
(2)InChI: InChI=1/C7H10N2O2/c1-3-9-6(7(10)11)4-5(2)8-9/h4H,3H2,1-2H3,(H,10,11)
(3)InChIKey: VFMGOJUUTAPPDA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H10N2O2/c1-3-9-6(7(10)11)4-5(2)8-9/h4H,3H2,1-2H3,(H,10,11)
(5)Std. InChIKey: VFMGOJUUTAPPDA-UHFFFAOYSA-N