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CAS Number: 252903-25-6
ethyl 5-amino-1-phenethyl-1H-pyrazole-4-carboxylate

Structure

ethyl 5-amino-1-phenethyl-1H-pyrazole-4-carboxylate
Name: ethyl 5-amino-1-phenethyl-1H-pyrazole-4-carboxylate
Synonyms:
General Information
Product Number: 252903256
CAS Registry Number: 252903-25-6
Name:
1H-​Pyrazole-​4-​carboxylic acid, 5-​amino-​1-​(2-​phenylethyl)​-​, ethyl ester
5-​Amino-​1-​phenethyl-​1H-​pyrazole-​4-​carboxylic acid ethyl ester 
 
Chemical Formula: C14H17N3O2
Exact Mass: 259.13
Molecular Weight: 259.30
m/z: 259.13 (100.0%), 260.14 (15.4%), 261.14 (1.5%), 260.13 (1.1%)
Elemental Analysis: C, 64.85; H, 6.61; N, 16.20; O, 12.34
 
InChI: InChI=1S/C14H17N3O2/c1-2-19-14(18)12-10-16-17(13(12)15)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9,15H2,1H3
InChIKey: RQQNKPOAHSWRAT-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N(N=C1)CCC2=CC=CC=C2)N

Specification

98%

References

PCT Int. Appl. (2008), WO 2008051047 A1 20080502.

PCT Int. Appl. (1999), WO 9967235 A1 19991229.

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