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Home Carboxys 5-Amino-1-benzyl-1h-pyrazole-4-carboxylic acid ethyl ester

5-Amino-1-benzyl-1h-pyrazole-4-carboxylic acid ethyl ester

CAS No.:
19867-62-0
Catalog Number:
AG002BOM
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$119
- +
5g
98%
In Stock USA
United States
$369
- +
10g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG002BOM
Chemical Name:
5-Amino-1-benzyl-1h-pyrazole-4-carboxylic acid ethyl ester
CAS Number:
19867-62-0
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
MDL Number:
MFCD00502757
IUPAC Name:
ethyl 5-amino-1-benzylpyrazole-4-carboxylate
InChI:
InChI=1S/C13H15N3O2/c1-2-18-13(17)11-8-15-16(12(11)14)9-10-6-4-3-5-7-10/h3-8H,2,9,14H2,1H3
InChI Key:
SDKPSMKNXBQGQU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)Cc1ccccc1
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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