5-Amino-1-methylpyrazole-4-carboxamide
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5-Amino-1-methylpyrazole-4-carboxamide
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CAS No:
18213-75-7
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Formula:
C5H8N4O
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Chemical Name:
5-Amino-1-methylpyrazole-4-carboxamide
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Synonyms:
5-AMINO-1-METHYLPYRAZOLE-4-CARBOXAMIDE;5-AMINO-1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDE;5-AMINO-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID AMIDE;BUTTPARK 94\04-11;5-Amino-1-methylpyrazole-4-carboxamide, tech;5-Amino-1-methyl-1h-pyrazole-4-carboxamide, tech;1H-Pyrazole-4-carboxamide,5-amino-1-methyl-(9CI);5-Amino-1,3-dimethyl-1H-pyrazole-4-carboxamide
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CAS No:
5-Amino-1-methylpyrazole-4-carboxamide Basic Attributes
140.14
140.07000
102026
DTXSID50295449
2933199090
Safety Information
IRRITANT
UN 2811 6.1 / PGIII
36/37/38-25
26-36/37/39-24/25-22-45
Xi,T
Irritant
P301 + P310
H301
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-Amino-1-methylpyrazole-4-carboxamide Use and Manufacturing
A mixture of 5 -amino- 1 -methyl- lH-pyrazolo 4-carbonitrile 2 (13 g, 0.11 mol) in cone, sulfuric acid (30 mL, 0.6 mol) was stirred for Ih at room temperature. The mixture was poured on ice and the resulting mixture was basified to pη = 8 with 50percent ammonia hydroxide aqueous solution in the ice bath. The precipitated product was filtered and washed with water to give 5-amino-l -methyl- lH-pyrazolo-4-carboxylic acid amide 3 (13.5g, 91percent).Alternatively, a mixture of 5 -amino- 1 -methyl- lH-pyrazolo 4-carbonitrile 2 (3.00 g, 24.59 mmol), IM aqueous solution of sodium hydroxide (1.1 equiv., 27 ml) and -30percent aqueous solution of hydrogen peroxide (5 equiv., 14 ml) were stirred in methanol (30 ml) at room temperature overnight. The volume of reaction mixture was reduced in vacuo, precipitate filtered and dried to give 5 -amino- 1 -methyl- lH-pyrazolo-4-carboxylic acid amide 3 (2.99 g, 87 percent).
Computed Properties
Molecular Weight:140.14
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:140.06981089
Monoisotopic Mass:140.06981089
Topological Polar Surface Area:86.9
Heavy Atom Count:10
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 5-Amino-1-methylpyrazole-4-carboxamide
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5-Amino-1-methylpyrazole-4-carboxamide
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