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1114957-51-5

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Basic Information
CAS No.: 1114957-51-5
Name: 3-Cyclopropyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine
Article Data: 1
Molecular Structure:
Molecular Structure of 1114957-51-5 (3-Cyclopropyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine)
Formula: C12H12FN3
Molecular Weight: 217.246
Synonyms: 3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-ylamine;5-amino-3-cyclopropyl-1-(4-fluorophenyl)pyrazole;3-cyclopropyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine;
Density: 1.39 g/cm3
Melting Point: 127℃
Boiling Point: 376 °C at 760 mmHg
Flash Point: 181.2 °C
Hazard Symbols: Xi
PSA: 43.84000
LogP: 3.05220
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Specification

This chemical is called 3-Cyclopropyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine, and its systematic name is 5-cyclopropyl-2-(4-fluorophenyl)pyrazol-3-amine. With the molecular formula of C12H12FN3, its molecular weight is 217.24. The CAS registry number of this chemical is 1114957-51-5.

Other characteristics of the 3-Cyclopropyl-1-(4-fluorophenyl)-1H-pyrazol-5-amine can be summarised as followings: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.94; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 43.84 Å2; (9)Index of Refraction: 1.683; (10)Molar Refractivity: 58.99 cm3; (11)Molar Volume: 155.4 cm3; (12)Polarizability: 23.38×10-24cm3; (13)Surface Tension: 50.5 dyne/cm; (14)Density: 1.39 g/cm3; (15)Flash Point: 181.2 °C; (16)Enthalpy of Vaporization: 62.36 kJ/mol; (17)Boiling Point: 376 °C at 760 mmHg; (18)Vapour Pressure: 7.46E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:  
1.SMILES: Fc1ccc(cc1)n2nc(cc2N)C3CC3
2.InChI: InChI=1/C12H12FN3/c13-9-3-5-10(6-4-9)16-12(14)7-11(15-16)8-1-2-8/h3-8H,1-2,14H2
3.InChIKey: UXTDYQOCRWENFL-UHFFFAOYAQ