Home Amines 384835-92-1
384835-92-1,MFCD16631856
Catalog No.:AA01AQGH
384835-92-1 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-[(4-methoxyphenyl)methyl]-,ethyl ester
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Technical Information
Catalog Number:
AA01AQGH
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-[(4-methoxyphenyl)methyl]-,ethyl ester
CAS Number:
384835-92-1
Molecular Formula:
C14H17N3O3
Molecular Weight:
275.3031
MDL Number:
MFCD16631856
IUPAC Name:
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
InChI:
InChI=1S/C14H17N3O3/c1-3-20-14(18)12-8-16-17(13(12)15)9-10-4-6-11(19-2)7-5-10/h4-8H,3,9,15H2,1-2H3
InChI Key:
DDLNBTLDLFUKNK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)Cc1ccc(cc1)OC
Properties
Computed Properties
 
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.127g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
275.308g/mol
Monoisotopic Mass:
275.127g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
ethyl 5-amino-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylate 
384835-92-1 
1-(4-Methoxybenzyl)-5-amino-1H-pyrazole-4-carboxylic acid ethyl ester 
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylate 
SCHEMBL370942 
DDLNBTLDLFUKNK-UHFFFAOYSA-N 
ZINC36657703 
AKOS015957426 
MCULE-6806361466 
ethyl 5-amino-1-p-methoxybenzyl-4-pyrazolecarboxylate 
F2161-0045 
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate 
Literature
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