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3,5-Diamino-1H-pyrazole

3,5-Diamino-1H-pyrazole structure

CAS No:
16082-33-0
Formula:
C3H6N4
Chemical Name:
3,5-Diamino-1H-pyrazole
Synonyms:
3,5-Diamino-1H-pyrazole;1H-pyrazole-3,5-diamine
Categories:
Chemical Reagents > Organic Reagents

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3,5-Diamino-1H-pyrazole Basic Attributes

Molecular Weight：

98.11

Exact Mass：

98.05920

DSSTox ID：

DTXSID50430696

HScode：

2933199090

Characteristics

PSA：

80.7

XLogP3：

-0.5

Density：

1.496

Boiling Point：

484.9±25.0 °C(Predicted)

Flash Point：

278.849ºC

Refractive Index：

1.771

Vapor Pressure：

0mmHg at 25°C

3,5-Diamino-1H-pyrazole Use and Manufacturing

1st Step Sodium (1, 3-dioxopropan-2-ylidyne)azinate monohydrate (1.37 g) was added to an acetic acid (14 ml) solution containing To a solution of (i) Preparation of 69: (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 To a solution of Example 36 N-{5-f2-(2, 3-Difluoro-phenyl)-ethvn-7-hvdroxy-pyrazolori, 5-a1pyrimidin-2-yl) acetamide; 1 0 g of 1 H-Pyrazole-3, 5-diotaamiotane {Intermediate G) is dissolved in 15 ml of AcOH 3 0 g of 5- (2, 3-diotafluoro-phenyl)-3-oxo-pentanoiotac acid ethyl ester (Intermediate A4) added and the solution is heated at 100 for 18 hours The reaction is then cooled to 0 and the solids collected by suction filtration and washed well with AcOH and diethyl ether and then dried under vacuum to yield the title compound 1H NMR (400 MHz, DMSO-d6) 12 10 (1 H1 br), 10 88 (1 H, s), 7 28 (1 H, m), 7 12 (2H, m), 6 41 (1 H, s), 5 52 (1 H, s), 3 05 (2H, t), 2 85 (2H, t) 2 02 (3H, s)

Computed Properties

Molecular Weight:98.11
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Exact Mass:98.059246208
Monoisotopic Mass:98.059246208
Topological Polar Surface Area:80.7
Heavy Atom Count:7
Complexity:64
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 16082-33-0

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

CAS No.: 16082-33-0

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Content: 95%

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