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Ethyl 5-aminopyrazole-4-carboxylate

CAS No.:
19750-02-8
Catalog Number:
AG00362D
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
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Product Description
Catalog Number:
AG00362D
Chemical Name:
Ethyl 5-aminopyrazole-4-carboxylate
CAS Number:
19750-02-8
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD00005238
IUPAC Name:
ethyl 5-amino-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)
InChI Key:
YPXGHKWOJXQLQU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn[nH]c1N
EC Number:
230-262-3
UNII:
9GY5HA1GAA
NSC Number:
521580
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
2-aminothienopyridazines as novel adenosine A1 receptor allosteric modulators and antagonists. Journal of medicinal chemistry 20081009
The synthesis, structure and properties of N-acetylated derivatives of ethyl 3-amino-1H-pyrazole-4-carboxylate. Chemical & pharmaceutical bulletin 20070501
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties