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306937-06-4

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Basic Information
CAS No.: 306937-06-4
Name: 3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE
Molecular Structure:
Molecular Structure of 306937-06-4 (3-(TERT-BUTYL)-1-(3-METHYLBENZYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE)
Formula: C16H22N4O
Molecular Weight: 286.3721
Synonyms: 3-tert-butyl-1-(3-methylbenzyl)-1H-pyrazole-5-carbohydrazide;
Density: 1.14 g/cm3
Melting Point: 102 °C
PSA: 72.94000
LogP: 3.23200
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Specification

The 1H-Pyrazole-5-carboxylicacid, 3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-, hydrazide, with the CAS registry number 306937-06-4, is also known as 3-(tert-Butyl)-1-(3-methylbenzyl)-1H-pyrazole-5-carbohydrazide. This chemical's molecular formula is C16H22N4O and molecular weight is 286.3721. Its systematic name is called 3-tert-butyl-1-(3-methylbenzyl)-1H-pyrazole-5-carbohydrazide.

Physical properties of 1H-Pyrazole-5-carboxylicacid, 3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-, hydrazide: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 1.96; (4)ACD/BCF (pH 5.5): 18.04; (5)ACD/BCF (pH 7.4): 18.07; (6)ACD/KOC (pH 5.5): 275.83; (7)ACD/KOC (pH 7.4): 276.32; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.587; (12)Molar Refractivity: 83.8 cm3; (13)Molar Volume: 249.3 cm3; (14)Surface Tension: 41.7 dyne/cm; (15)Density: 1.14 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(nn1Cc2cc(ccc2)C)C(C)(C)C)NN
(2)InChI: InChI=1/C16H22N4O/c1-11-6-5-7-12(8-11)10-20-13(15(21)18-17)9-14(19-20)16(2,3)4/h5-9H,10,17H2,1-4H3,(H,18,21)
(3)InChIKey: BURIRBNHVPFUOL-UHFFFAOYAR