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Home Carboxys 1H-Pyrazole-4-carboxylic acid,5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]-, ethyl ester

1H-Pyrazole-4-carboxylic acid,5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]-, ethyl ester

CAS No.:
107748-84-5
Catalog Number:
AG00HB16
Molecular Formula:
C12H11F3N4O2
Molecular Weight:
300.2365
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Product Description
Catalog Number:
AG00HB16
Chemical Name:
1H-Pyrazole-4-carboxylic acid,5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]-, ethyl ester
CAS Number:
107748-84-5
Molecular Formula:
C12H11F3N4O2
Molecular Weight:
300.2365
MDL Number:
MFCD01911397
IUPAC Name:
ethyl 5-amino-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate
InChI:
InChI=1S/C12H11F3N4O2/c1-2-21-11(20)8-6-18-19(10(8)16)9-4-3-7(5-17-9)12(13,14)15/h3-6H,2,16H2,1H3
InChI Key:
CTENAVZLUIFZJC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)c1ccc(cn1)C(F)(F)F
Properties
Complexity:
380  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.083g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.241g/mol
Monoisotopic Mass:
300.083g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
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