3,5-Diamino-1H-pyrazole supplier

Name
3,5-Diamino-1H-pyrazole
EINECS
CAS No. 16082-33-0
Density 1.497 g/cm³
Solubility
Melting Point
Formula C₃H₆N₄
Boiling Point 484.95 °C at 760 mmHg
Molecular Weight 98.1074
Flash Point 278.849 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazole,3,5-diamino- (8CI);3,5-Diaminopyrazole;3,5-Pyrazolediamine;
PSA 80.72000
LogP 0.73650

Synthetic route

: 109-77-3
malononitrile

: 16082-33-0
1H-pyrazole-3,5-diamine

Conditions

Conditions	Yield
With ethanol; hydrazine hydrate

3.5-bis-ethoxycarbonylimino-pyrazolidine: 3.5-bis-ethoxycarbonylimino-pyrazolidine

: 16082-33-0
1H-pyrazole-3,5-diamine

Conditions

Conditions	Yield
With barium dihydroxide

: 26315-24-2
Malondiimidsaeure-diethylester

: 16082-33-0
1H-pyrazole-3,5-diamine

Conditions

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;

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
for 5h; Heating / reflux;	35%

...Expand

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With sodium hydroxide

: 16082-33-0
1H-pyrazole-3,5-diamine

: 3,5-diamino-4-iodopyrazole

Conditions

Conditions	Yield
With bis(pyridine)iodonium(I)tetrafluoroborate In dimethyl sulfoxide for 5h; Ambient temperature;

: 753482-69-8
4-methyl-8-(morpholin-4-ylsulfonyl)-furo[3,4-c]quinoline-1,3-dione

: 16082-33-0
1H-pyrazole-3,5-diamine

: 2-(5-amino-1H-pyrazol-3-yl)-4-methyl-8-(morpholine-4-sulfonyl)-pyrrolo[3,4-c]quinoline-1,3-dione

Conditions

Conditions	Yield
Stage #1: 4-methyl-8-(morpholin-4-ylsulfonyl)-furo[3,4-c]quinoline-1,3-dione; 1H-pyrazole-3,5-diamine With pyridine at 20℃; for 0.5h; Stage #2: With acetic anhydride for 3h; Heating;

: 16082-33-0
1H-pyrazole-3,5-diamine

: 407-25-0
trifluoroacetic anhydride

: 452913-45-0
N-(5-amino-1H-pyrazol-3-yl)-2,2,2-trifluoro-acetamide

: 16082-33-0
1H-pyrazole-3,5-diamine

: 412950-62-0
5-(2,3-difluoro-phenyl)-3-oxo-pentanoic acid ethyl ester

: 64-19-7
acetic acid

: 1185908-04-6
N-{5-[2-(2,3-difluoro-phenyl)-ethyl]-7-hydroxy-pyrazolo[1,5-a]pyrimidin-2-yl}acetamide

Conditions

Conditions	Yield
at 100℃; for 18h;

...Expand

: 16082-33-0
1H-pyrazole-3,5-diamine

: sodium (1,3-dioxopropan-2-ylidyne)azinate monohydrate

: 5-nitro-1H-pyrazolo[3,4-b]pyridin-3-amine

Conditions

Conditions	Yield
With acetic acid at 90℃; for 6h; Sealed tube;	0.91 g

: 16082-33-0
1H-pyrazole-3,5-diamine

: 874-14-6
1,3-dimethyluracil

: 2-amino-4H,5H-pyrazolo[1,5-a]pyrimidin-5-one

Conditions

Conditions	Yield
With sodium ethanolate In ethanol at 80℃; for 15h;

: 16082-33-0
1H-pyrazole-3,5-diamine

: 874-14-6
1,3-dimethyluracil

: 2-aminopyrazolo[1,5-a]pyrimidin-5-ol

Conditions

Conditions	Yield
With sodium ethanolate In ethanol at 80℃;

3,5-Diamino-1H-pyrazole 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 C₃H₆N₄and 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

Product Name

3,5-Diamino-1H-pyrazole

Synthetic route

3,5-Diamino-1H-pyrazole Specification

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