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Compound Fr16639

CAT: 0931-Fr16639-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr16639-02Size:10 mg
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CAS Number
119022-51-4
Bioactivity
Compound Fr16639, with CAS No. 119022-51-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16639 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.
Smiles
CN1N=C(O)C=C1C(F)(F)F
Molecular Formula
C5H5F3N2O
Molecular Weight
166.1
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol
CAS Number119022-51-4
PubChem CID2724914
IUPAC Name2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
Molecular FormulaC5H5F3N2O
Molecular Weight166.10
XLogP0.8
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity220
SMILES
CN1C(=CC(=O)N1)C(F)(F)F
InChI
InChI=1S/C5H5F3N2O/c1-10-3(5(6,7)8)2-4(11)9-10/h2H,1H3,(H,9,11)
InChIKey
QEHXHKNBIGEWIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol
CAS: 119022-51-4
CID: 2724914
Formula: C5H5F3N2O
MW: 166.10
Interactive 3D Structure
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View on PubChemRaw 3D data

Related Products

CatalogName
Fr16632-01Compound Fr16632
Fr16630-01Compound Fr16630
Fr16609-01Compound Fr16609
Fr16739-01Compound Fr16739
Fr16634-01Compound Fr16634
Fr16669-01Compound Fr16669
Fr16631-01Compound Fr16631
Fr16679-01Compound Fr16679
Fr16699-01Compound Fr16699
Fr16633-01Compound Fr16633

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CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-U00358Compound 2
255023-01Compound 401
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34
MBS3613725-01Compound 3344
MBS3613444-01Compound W
ALX-270-455-M005Compound 15e

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