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CAS Number: 138907-68-3
ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

Structure

ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
Name: ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
Synonyms:
General Information
Product Number: 138907683
CAS Registry Number: 138907-68-3
Name:
1H-​Pyrazole-​4-​carboxylic acid, 5-​amino-​1-​(4-​fluorophenyl)​-​, ethyl ester
5-​Amino-​4-​(ethoxycarbonyl)​-​1-​(4-​fluorophenyl)​pyrazole; Ethyl 5-​amino-​1-​(4-​fluorophenyl)​-​1H-​pyrazole-​4-​carboxylate 
 
Chemical Formula: C12H12FN3O2
Exact Mass: 249.09
Molecular Weight: 249.24
m/z: 249.09 (100.0%), 250.09 (14.1%), 251.10 (1.2%)
Elemental Analysis: C, 57.83; H, 4.85; F, 7.62; N, 16.86; O, 12.84
 
InChI: InChI=1S/C12H12FN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3
InChIKey: RPPPCKSHIYWAPW-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)F)N

Specification

98%

References
  1. (1) Sutherland, Hamish S.; Journal of Medicinal Chemistry 2010, V53(2), P855-866 CAPLUS
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