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Basic Information
CAS No.: 252903-25-6
Name: Ethyl 5-amino-1-phenethylpyrazole-4-carboxylate
Article Data: 3
Molecular Structure:
Molecular Structure of 252903-25-6 (Ethyl 5-amino-1-phenethylpyrazole-4-carboxylate)
Formula: C14H17N3O2
Molecular Weight: 259.308
Synonyms: Ethyl 5-amino-1-(2-phenylethyl)pyrazole-4-carboxylate;
Density: 1.199 g/cm3
Boiling Point: 431.355 °C at 760 mmHg
Flash Point: 214.676 °C
PSA: 70.14000
LogP: 2.46590
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Specification

The Ethyl 5-amino-1-phenethylpyrazole-4-carboxylate has CAS registry number 252903-25-6. This chemical's molecular formula is C14H17N3O2 and molecular weight is 259.3. What's more, its systematic name is Ethyl 5-amino-1-(2-phenylethyl)pyrazole-4-carboxylate.

Physical properties about Ethyl 5-amino-1-phenethylpyrazole-4-carboxylate are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.253; (6)ACD/BCF (pH 7.4): 6.256; (7)ACD/KOC (pH 5.5): 129.239; (8)ACD/KOC (pH 7.4): 129.303; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 70.14 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 72.948 cm3; (15)Molar Volume: 216.186 cm3; (16)Polarizability: 28.919×10-24 cm3; (17)Surface Tension: 46.212 dyne/cm; (18)Density: 1.199 g/cm3; (19)Flash Point: 214.676 °C; (20)Enthalpy of Vaporization: 68.696 kJ/mol; (21)Boiling Point: 431.355 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cnn(c1N)CCc2ccccc2
(2) InChI: InChI=1/C14H17N3O2/c1-2-19-14(18)12-10-16-17(13(12)15)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9,15H2,1H3
(3) InChIKey: RQQNKPOAHSWRAT-UHFFFAOYAF