5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
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5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
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CAS No:
5394-41-2
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Formula:
C10H7N5O2
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Chemical Name:
5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
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Synonyms:
5-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile;5-amino-1-(4-nitrophenyl)pyrazole-4-carbonitrile;CHEMBL460379;5-amino-1-{4-nitrophenyl}-1H-pyrazole-4-carbonitrile;NSC1397;PubChem14490;SCHEMBL5860236;CTK1H4029;DTXSID70277262;ZINC336283
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CAS No:
5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE Basic Attributes
229.19
229.06000
1397
DTXSID70277262
2933199090
5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE Use and Manufacturing
Step 1:To 5.0 g (32.65 mmo[) (4-nitropheny[)hydrazine and 9.10 mL (65.3 mmo[) N, Ndiethy[ethanamine in 90 mL ethano[ were added 3.987 g (32.65 mmo[) (ethoxymethy[ene)ma[ononitri[e. The reaction was stirred under ref[ux over night and coo[ed to rt. It was concentrated. The residue was disso[ved in dich[oromethane, washed with water and brine, dried over sodium su[fate and concentrated. The so[id was treated with hexane, fi[tered off and dried under vacuum affording 7.024 g (91percent) product which was used in the next step without further purification.
Computed Properties
Molecular Weight:229.19
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:229.05997448
Monoisotopic Mass:229.05997448
Topological Polar Surface Area:113
Heavy Atom Count:17
Complexity:338
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
5-AMINO-1-(4-NITROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
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