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Compound Fr13249

CAT: 0013-GTR19269898-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269898-02Size:5 mg
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Description
Compound Fr13249, with CAS No. 882275-06-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13249 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
882275-06-1
Smiles
Cc1cc2nc (cc (C) n2n1) C (F) (F) F
Molecular Formula
C9H8F3N3
Molecular Weight
215.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,7-Dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

2,7-Dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is a pyrazolopyrimidine.

CAS Number882275-06-1
PubChem CID2819673
IUPAC Name2,7-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Molecular FormulaC9H8F3N3
Molecular Weight215.17
XLogP2
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity243
SMILES
CC1=CC(=NC2=CC(=NN12)C)C(F)(F)F
InChI
InChI=1S/C9H8F3N3/c1-5-3-8-13-7(9(10,11)12)4-6(2)15(8)14-5/h3-4H,1-2H3
InChIKey
HFNAOKCHYOMCIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,7-Dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS: 882275-06-1
CID: 2819673
Formula: C9H8F3N3
MW: 215.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.17
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass215.06703175
Monoisotopic Mass215.06703175
Topological Polar Surface Area30.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity243
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19269901-01Compound Fr13281
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GTR19269893-01Compound Fr13217

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