5-Amino-1-(3-fluorophenyl)-1H-pyrazole-4-carbonitrile supplier

Name
5-Amino-1-(3-fluorophenyl)-1H-pyrazole-4-carbonitrile
EINECS
CAS No. 51516-71-3
Article Data11
CAS DataBase
Density 1.361 g/cm³
Solubility
Melting Point
Formula C₁₀H₇FN₄
Boiling Point 405.546 °C at 760 mmHg
Molecular Weight 202.191
Flash Point 199.067 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms BB_SC-8993;5-amino-1-(3-fluorophenyl)-1H-pyrazole-4-carbonitrile;
PSA 67.63000
LogP 2.04648

5-Amino-1-(3-fluorophenyl)-1H-pyrazole-4-carbonitrile Specification

The 5-Amino-1-(3-fluorophenyl)-1H-pyrazole-4-carbonitrile has the CAS registry number 51516-71-3. This chemical's molecular formula is C₁₀H₇FN₄ and molecular weight is 202.19. What's more, its systematic name is 5-Amino-1-(3-fluorophenyl)pyrazole-4-carbonitrile.

Physical properties of 5-Amino-1-(3-fluorophenyl)-1H-pyrazole-4-carbonitrile are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.766; (6)ACD/BCF (pH 7.4): 3.766; (7)ACD/KOC (pH 5.5): 89.913; (8)ACD/KOC (pH 7.4): 89.913; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.63 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 54.241 cm³; (15)Molar Volume: 148.53 cm³; (16)Polarizability: 21.503×10^-24cm³; (17)Surface Tension: 52.199 dyne/cm; (18)Density: 1.361 g/cm³; (19)Flash Point: 199.067 °C; (20)Enthalpy of Vaporization: 65.715 kJ/mol; (21)Boiling Point: 405.546 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)F)n2c(c(cn2)C#N)N
(2)InChI: InChI=1S/C10H7FN4/c11-8-2-1-3-9(4-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
(3)InChIKey: QMABEDHYXLYKEL-UHFFFAOYSA-N

Product Name

5-Amino-1-(3-fluorophenyl)-1H-pyrazole-4-carbonitrile

5-Amino-1-(3-fluorophenyl)-1H-pyrazole-4-carbonitrile Specification

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