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16082-33-0

Basic Information
CAS No.: 16082-33-0
Name: 3,5-Diamino-1H-pyrazole
Molecular Structure:
Molecular Structure of 16082-33-0 (3,5-Diamino-1H-pyrazole)
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
Synthetic route
109-77-3

malononitrile

16082-33-0

1H-pyrazole-3,5-diamine

Conditions
ConditionsYield
With ethanol; hydrazine hydrate
3.5-bis-ethoxycarbonylimino-pyrazolidine

3.5-bis-ethoxycarbonylimino-pyrazolidine

16082-33-0

1H-pyrazole-3,5-diamine

Conditions
ConditionsYield
With barium dihydroxide
26315-24-2

Malondiimidsaeure-diethylester

16082-33-0

1H-pyrazole-3,5-diamine

Conditions
ConditionsYield
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;
16082-33-0

1H-pyrazole-3,5-diamine

(E)-2-Benzoyl-3-(3,4,5-trimethoxy-phenyl)-acrylonitrile

2-Benzoyl-3-(3,4,5-trimethoxyphenyl)-3-(3,5-diaminopyrazol-4-yl)propionitril

Conditions
ConditionsYield
In ethanol at 40℃; for 0.333333h;87%
16082-33-0

1H-pyrazole-3,5-diamine

27317-59-5

Ethyl 3-ethoxy-3-iminopropionate

2,5-Diamino-pyrazolo<1,5-a>pyrimidin-7(4H)-on

Conditions
ConditionsYield
In ethanol Heating;58.1%
16082-33-0

1H-pyrazole-3,5-diamine

94-02-0

ethyl 3-oxo-3-phenylpropionate

64-19-7

acetic acid

934293-50-2

C14H12N4O2

Conditions
ConditionsYield
for 5h; Heating / reflux;35%
16082-33-0

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-4-a-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-4-a-carboxamide

Conditions
ConditionsYield
In pyridine at 20℃;25%
16082-33-0

1H-pyrazole-3,5-diamine

1415383-28-6

(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

1415382-84-1

(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
ConditionsYield
With pyridine In pyridine at 20℃;25%
16082-33-0

1H-pyrazole-3,5-diamine

590-28-3

potassium cyanate

N,N''-(1H-pyrazole-3,5-diyl)-di-urea

Conditions
ConditionsYield
With hydrogenchloride
16082-33-0

1H-pyrazole-3,5-diamine

98-88-4

benzoyl chloride

N,N'-(1H-pyrazole-3,5-diyl)-bis-benzamide

Conditions
ConditionsYield
With sodium hydroxide
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Specification

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