5-Amino-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester supplier

Name
ethyl 5-amino-1-(pyridin-4-yl)-1H-pyrazole-4-carboxylate
EINECS
CAS No. 38965-48-9
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂N₄O₂
Boiling Point 418.2 °C at 760 mmHg
Molecular Weight 232.24
Flash Point 206.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ba 38153;ethyl 5-amino-1-(pyridin-4-yl)-1H-pyrazole-4-carboxylate;5-Amino-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester;
PSA 83.03000
LogP 1.60740

5-Amino-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester Specification

The 1H-Pyrazole-4-carboxylic acid,5-amino-1-(4-pyridinyl)-,ethyl ester, with the CAS registry number 38965-48-9, is also known as 5-Amino-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester. This chemical's molecular formula is C₁₁H₁₂N₄O₂ and molecular weight is 232.24. What's more, its systematic name is ethyl 5-amino-1-pyridin-4-yl-1H-pyrazole-4-carboxylate.

Physical properties of 1H-Pyrazole-4-carboxylic acid,5-amino-1-(4-pyridinyl)-,ethyl ester are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 21.83; (6)ACD/BCF (pH 7.4): 21.85; (7)ACD/KOC (pH 5.5): 316.19; (8)ACD/KOC (pH 7.4): 316.52; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 83.03 Å²; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 62.17 cm³; (15)Molar Volume: 172.6 cm³; (16)Polarizability: 24.64×10^-24 cm³; (17)Surface Tension: 53.8 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 206.7 °C; (20)Enthalpy of Vaporization: 67.17 kJ/mol; (21)Boiling Point: 418.2 °C at 760 mmHg; (22)Vapour Pressure: 3.33E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)c2cnn(c1ccncc1)c2N
(2)InChI: InChI=1/C11H12N4O2/c1-2-17-11(16)9-7-14-15(10(9)12)8-3-5-13-6-4-8/h3-7H,2,12H2,1H3
(3)InChIKey: PIILFFOTESCNQQ-UHFFFAOYAD

Product Name

ethyl 5-amino-1-(pyridin-4-yl)-1H-pyrazole-4-carboxylate

5-Amino-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester Specification

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