1H-Pyrazole-4-carboxamide,5-amino-1-(3-chlorophenyl)- supplier

Name
5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE
EINECS
CAS No. 50427-78-6
Density 1.55 g/cm³
Solubility
Melting Point
Formula C₁₀H₉ClN₄O
Boiling Point 459 °C at 760 mmHg
Molecular Weight 236.661
Flash Point 231.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxamide;
PSA 87.92000
LogP 2.67220

1H-Pyrazole-4-carboxamide,5-amino-1-(3-chlorophenyl)- Specification

The 1H-Pyrazole-4-carboxamide,5-amino-1-(3-chlorophenyl)-, with the CAS registry number 50427-78-6, is also known as 5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxamide. This chemical's molecular formula is C₁₀H₉ClN₄O and molecular weight is 236.6577. What's more, its IUPAC name is 5-Amino-1-(3-chlorophenyl)pyrazole-4-carboxamide.

Physical properties about 1H-Pyrazole-4-carboxamide,5-amino-1-(3-chlorophenyl)- are: (1)ACD/LogP: 0.95; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 3.08; (6)ACD/BCF (pH 7.4): 3.08; (7)ACD/KOC (pH 5.5): 77.92; (8)ACD/KOC (pH 7.4): 77.92; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 41.37 Å²; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 59.82 cm³; (15)Molar Volume: 152.2 cm³; (16)Polarizability: 23.71×10^-24cm³; (17)Surface Tension: 65.7 dyne/cm; (18)Density: 1.55 g/cm³; (19)Flash Point: 231.4 °C; (20)Enthalpy of Vaporization: 71.94 kJ/mol; (21)Boiling Point: 459 °C at 760 mmHg; (22)Vapour Pressure: 1.31E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cccc(c1)n2ncc(c2N)C(=O)N
(2) InChI: InChI=1/C10H9ClN4O/c11-6-2-1-3-7(4-6)15-9(12)8(5-14-15)10(13)16/h1-5H,12H2,(H2,13,16)
(3) InChIKey: WEZHZDJZVBEJET-UHFFFAOYAT

Product Name

5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXAMIDE

1H-Pyrazole-4-carboxamide,5-amino-1-(3-chlorophenyl)- Specification

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