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Home Carboxys 8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS No.:
505054-58-0
Catalog Number:
AG00DD4T
Molecular Formula:
C11H8F3N3O2
Molecular Weight:
271.1953
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Product Description
Catalog Number:
AG00DD4T
Chemical Name:
8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CAS Number:
505054-58-0
Molecular Formula:
C11H8F3N3O2
Molecular Weight:
271.1953
MDL Number:
MFCD02736941
IUPAC Name:
2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-11-carboxylic acid
InChI:
InChI=1S/C11H8F3N3O2/c12-11(13,14)9-5-2-1-3-6(5)15-8-4-7(10(18)19)16-17(8)9/h4H,1-3H2,(H,18,19)
InChI Key:
RVVIKJAZPQYDOS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2n(n1)c(c1c(n2)CCC1)C(F)(F)F
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.057g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
271.199g/mol
Monoisotopic Mass:
271.057g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties