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65190-36-5

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Basic Information
CAS No.: 65190-36-5
Name: 4-NITRO-2H-PYRAZOLE-3-CARBOXAMIDE
Article Data: 14
Molecular Structure:
Molecular Structure of 65190-36-5 (4-NITRO-2H-PYRAZOLE-3-CARBOXAMIDE)
Formula: C4H4N4O3
Molecular Weight: 156.101
Synonyms: 1H-Pyrazole-3-carboxamide, 4-nitro-;Pyrazole-3-carboxamide, 4-nitro- (6CI);
Density: 1.706 g/cm3
Melting Point: 291-293 °C
Boiling Point: 460.532 °C at 760 mmHg
Flash Point: 232.321 °C
PSA: 117.59000
LogP: 0.64030
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Specification

4-Nitro-1H-pyrazole-3-carboxamide is an organic compound with the formula C4H4N4O3, and its systematic name is the same with the product name. With the CAS registry number 65190-36-5, it is also named as Pyrazole-3-carboxamide, 4-nitro- (6CI). In addition, the molecular weight is 156.10.

Physical properties of 4-Nitro-1H-pyrazole-3-carboxamide are: (1)ACD/LogP: -0.706; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): -1.08; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 9.66; (8)ACD/KOC (pH 7.4): 4.13; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 117.59 Å2; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 34.253 cm3; (15)Molar Volume: 91.522 cm3; (16)Polarizability: 13.579×10-24cm3; (17)Surface Tension: 102.12 dyne/cm; (18)Density: 1.706 g/cm3; (19)Flash Point: 232.321 °C; (20)Enthalpy of Vaporization: 72.122 kJ/mol; (21)Boiling Point: 460.532 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cnnc1C(=O)N
(2)Std. InChI: InChI=1S/C4H4N4O3/c5-4(9)3-2(8(10)11)1-6-7-3/h1H,(H2,5,9)(H,6,7)
(3)Std. InChIKey: SVHOGXCJBBYKOT-UHFFFAOYSA-N