Name: 3-Amino-4-nitropyrazole
SKU: 16115-82-5

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Basic Information

Molecular Structure:
CAS No.:	16115-82-5
Name:	3-Amino-4-nitropyrazole

Formula:	C₃H₄N₄O₂
Molecular Weight:	128.09
Synonyms:	3-Amino-4-nitropyrazole;4-Nitro-1H-pyrazol-3-ylamine;4-Nitro-1H-pyrazol-5-amine;
Density:	1.705 g/cm³
Melting Point:	242 °C
Boiling Point:	455.5 °C at 760 mmHg
Flash Point:	229.3 °C
PSA:	100.52000
LogP:	1.00450

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Specification

The 1H-Pyrazol-3-amine,4-nitro-, with the CAS registry number 16115-82-5, is also known as 3-Amino-4-nitropyrazole. It belongs to the product category of Nitro. This chemical's molecular formula is C₃H₄N₄O₂ and molecular weight is 128.09. What's more, its systematic name is 4-nitro-1H-pyrazol-5-amine.

Physical properties of 1H-Pyrazol-3-amine,4-nitro- are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.34; (6)ACD/BCF (pH 7.4): 4.34; (7)ACD/KOC (pH 5.5): 99.56; (8)ACD/KOC (pH 7.4): 99.53; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.88 Å²; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 29.55 cm³; (15)Molar Volume: 75.1 cm³; (16)Polarizability: 11.71×10^-24cm³; (17)Surface Tension: 108.4 dyne/cm; (18)Density: 1.705 g/cm³; (19)Flash Point: 229.3 °C; (20)Enthalpy of Vaporization: 71.52 kJ/mol; (21)Boiling Point: 455.5 °C at 760 mmHg; (22)Vapour Pressure: 1.75E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cnnc1N
(2)Std. InChI: InChI=1S/C3H4N4O2/c4-3-2(7(8)9)1-5-6-3/h1H,(H3,4,5,6)
(3)Std. InChIKey: JWGYPTNGYXOXPV-UHFFFAOYSA-N