Ethyl 5-nitro-1H-pyrazole-3-carboxylate
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Ethyl 5-nitro-1H-pyrazole-3-carboxylate
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CAS No:
39846-84-9
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Formula:
C6H7N3O4
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Chemical Name:
Ethyl 5-nitro-1H-pyrazole-3-carboxylate
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Synonyms:
1H-Pyrazole-3-carboxylic acid,5-nitro-,ethyl ester;Ethyl 5-nitro-1H-pyrazole-3-carboxylate;5-Nitro-3-pyrazolecarboxylic acid ethyl ester;Ethyl 3-nitro-1H-pyrazole-5-carboxylate;321742-18-1;380593-30-6;400825-03-8;698978-98-2;1092683-08-3;1649469-52-2;2416788-67-3
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CAS No:
Characteristics
100.80000
1.01780
1.455±0.06 g/cm3
155 °C @ Solvent: Chloroform
386.9±22.0 °C(Predicted)
5.36±0.10
Ethyl 5-nitro-1H-pyrazole-3-carboxylate Use and Manufacturing
5-NITRO-1 H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER was used in the synthetic preparation of 5-N,N-Disubstituted 5-aminopyrazole-3-carboxylic acids, an highly potents and selective agonists of the G-Protein Coupled Receptor GPR109.
Computed Properties
Molecular Weight:185.14
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:185.04365571
Monoisotopic Mass:185.04365571
Topological Polar Surface Area:101
Heavy Atom Count:13
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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