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CAS No.: | 16082-33-0 |
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Name: | 3,5-Diamino-1H-pyrazole |
Molecular Structure: | |
Formula: | C3H6N4 |
Molecular Weight: | 98.1074 |
Synonyms: | Pyrazole,3,5-diamino- (8CI);3,5-Diaminopyrazole;3,5-Pyrazolediamine; |
Density: | 1.497 g/cm3 |
Boiling Point: | 484.95 °C at 760 mmHg |
Flash Point: | 278.849 °C |
PSA: | 80.72000 |
LogP: | 0.73650 |
malononitrile
1H-pyrazole-3,5-diamine
Conditions | Yield |
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With ethanol; hydrazine hydrate |
1H-pyrazole-3,5-diamine
Conditions | Yield |
---|---|
With barium dihydroxide |
Malondiimidsaeure-diethylester
1H-pyrazole-3,5-diamine
Conditions | Yield |
---|---|
With hydrazine In ethanol at 4℃; for 16.1667h; | |
Stage #1: Malondiimidsaeure-diethylester With potassium carbonate In diethyl ether at 0℃; Saturated solution; Stage #2: With hydrazine hydrate In ethanol Reflux; |
1H-pyrazole-3,5-diamine
Conditions | Yield |
---|---|
In ethanol at 40℃; for 0.333333h; | 87% |
1H-pyrazole-3,5-diamine
Ethyl 3-ethoxy-3-iminopropionate
Conditions | Yield |
---|---|
In ethanol Heating; | 58.1% |
1H-pyrazole-3,5-diamine
ethyl 3-oxo-3-phenylpropionate
acetic acid
C14H12N4O2
Conditions | Yield |
---|---|
for 5h; Heating / reflux; | 35% |
1H-pyrazole-3,5-diamine
Conditions | Yield |
---|---|
In pyridine at 20℃; | 25% |
1H-pyrazole-3,5-diamine
(4aS,6aS,6bR,13aR)-12-amino-2,2,6a,6b,9,9,13a-heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,11,13,13a,13b,14,15b-octadecahydro-1H-chryseno[1,2-f]indazole-4a-carbonyl chloride
(4aS,6aS,6bR,13aR)-12-amino-N-(3-amino-1H-pyrazol-5-yl)-2,2,6a,6b,9,9,13a-heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,11,13,13a,13b,14,15b-octadecahydro-1H-chryseno[1,2-f]indazole-4a-carboxamide
Conditions | Yield |
---|---|
With pyridine In pyridine at 20℃; | 25% |
Conditions | Yield |
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With hydrogenchloride |
Conditions | Yield |
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With sodium hydroxide |
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The CAS register number of 3,5-Diamino-1H-pyrazole is 16082-33-0. It also can be called as 3,5-Diaminopyrazole and the IUPAC name about this chemical is 1H-pyrazole-3,5-diamine. The molecular formula about this chemical is C3H6N4 and molecular weight is 98.11.
Physical properties about 3,5-Diamino-1H-pyrazole are: (1)ACD/LogP: -1.96; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2; (7)#H bond acceptors: 4; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 80.72Å2; (11)Index of Refraction: 1.771; (12)Molar Refractivity: 27.25 cm3; (13)Molar Volume: 65.54 cm3; (14)Polarizability: 10.803x10-24cm3; (15)Surface Tension: 110.916 dyne/cm; (16)Enthalpy of Vaporization: 75.035 kJ/mol; (17)Boiling Point: 484.95 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c([nH]nc1N)N
(2)InChI: InChI=1/C3H6N4/c4-2-1-3(5)7-6-2/h1H,(H5,4,5,6,7)
(3)InChIKey: KGBBJPZIDRELDP-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C3H6N4/c4-2-1-3(5)7-6-2/h1H,(H5,4,5,6,7)
(5)Std. InChIKey: KGBBJPZIDRELDP-UHFFFAOYSA-N