Basic Information | Post buying leads | Suppliers |
Name |
5-Amino-1-(4-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester |
EINECS | N/A |
CAS No. | 38965-48-9 | Density | 1.34 g/cm3 |
PSA | 83.03000 | LogP | 1.60740 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H12N4O2 | Boiling Point | 418.2 °C at 760 mmHg |
Molecular Weight | 232.24 | Flash Point | 206.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
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