1H-Pyrazole-4-carboxylicacid, 1-phenyl-5-propyl-, ethyl ester supplier

Name
ETHYL 1-PHENYL-5-PROPYL-1H-PYRAZOLE-4-CARBOXYLATE
EINECS
CAS No. 116344-12-8
Article Data3
CAS DataBase
Density 1.1 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₈N₂O₂
Boiling Point 388.5 °C at 760 mmHg
Molecular Weight 258.32
Flash Point 188.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Phenyl-5-propyl-1H-pyrazole-4-carboxylicacid ethyl ester;
PSA 44.12000
LogP 3.00150

1H-Pyrazole-4-carboxylicacid, 1-phenyl-5-propyl-, ethyl ester Specification

The 1H-Pyrazole-4-carboxylicacid, 1-phenyl-5-propyl-, ethyl ester, with the CAS registry number 116344-12-8, is also known as 1-Phenyl-5-propyl-1H-pyrazole-4-carboxylicacid ethyl ester. This chemical's molecular formula is : C₁₅H₁₈N₂O₂ and molecular weight is 258.32. What's more, its systematic name is ethyl 1-phenyl-5-propyl-1H-pyrazole-4-carboxylate.

Physical properties of 1H-Pyrazole-4-carboxylicacid, 1-phenyl-5-propyl-, ethyl ester are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 835.57; (6)ACD/BCF (pH 7.4): 835.57; (7)ACD/KOC (pH 5.5): 4296.91; (8)ACD/KOC (pH 7.4): 4296.91; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 75.45 cm³; (15)Molar Volume: 234.6 cm³; (16)Polarizability: 29.91×10^-24 cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 188.8 °C; (20)Enthalpy of Vaporization: 63.77 kJ/mol; (21)Boiling Point: 388.5 °C at 760 mmHg; (22)Vapour Pressure: 3.05×10^-6 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2cnn(c1ccccc1)c2CCC
(2)InChI: InChI=1/C₁₅H₁₈N₂O₂/c1-3-8-14-13(15(18)19-4-2)11-16-17(14)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3
(3)InChIKey: NLPGHYPEJSXVNH-UHFFFAOYAR

Product Name

ETHYL 1-PHENYL-5-PROPYL-1H-PYRAZOLE-4-CARBOXYLATE

1H-Pyrazole-4-carboxylicacid, 1-phenyl-5-propyl-, ethyl ester Specification

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