5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
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5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
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CAS No:
72816-14-9
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Formula:
C9H7N5
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Chemical Name:
5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
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Synonyms:
5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile;5-Amino-4-cyano-1-(2-pyridyl)pyrazole;5-Amino-1-(2-pyridyl)pyrazole-4-carbonitrile;5-Amino-1-(pyridin-2-yl)
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CAS No:
5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile Basic Attributes
185.18538
185.07000
DTXSID70507617
2933990090
5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile Use and Manufacturing
To 2-hydrazinopyridine (3.00 g, 27.5 [MMOL)] in 50 mL of ethanol was added 2- (ethoxymethylene) malononitrile (3.37 g, 27.5 [MMOL)] and triethylamine (3.8 [ML, ] 27.5 [MMOL).] Mixture was [REFLUXED] of ca. 3.5 h. After cooling to RT the resulting solids were collected to give the product as a white solid (4.33 g, 85 percent). 'H NMR (DMSO) 8 8.46 [(DD, ] [1] H), 8.11 (brs, 2H), 8.01 (m, 1 H), 7.88 (s, [1] H), 7.84 (d, [1] H), 7.35 (m, [1 H)] ppm. b
Computed Properties
Molecular Weight:185.19
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:185.07014524
Monoisotopic Mass:185.07014524
Topological Polar Surface Area:80.5
Heavy Atom Count:14
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
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