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Compound Fr16615

CAT: 0931-Fr16615-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr16615-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
57012-20-1
Bioactivity
Compound Fr16615, with CAS No. 57012-20-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16615 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(C)C=C1CO
Molecular Formula
C6H10N2O
Molecular Weight
126.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1,3-dimethyl-1H-pyrazol-5-yl)methanol
CAS Number57012-20-1
PubChem CID2776363
IUPAC Name(2,5-dimethylpyrazol-3-yl)methanol
Molecular FormulaC6H10N2O
Molecular Weight126.16
XLogP-0.2
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity97
SMILES
CC1=NN(C(=C1)CO)C
InChI
InChI=1S/C6H10N2O/c1-5-3-6(4-9)8(2)7-5/h3,9H,4H2,1-2H3
InChIKey
GUJDKMVLHCJODO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1,3-dimethyl-1H-pyrazol-5-yl)methanol
CAS: 57012-20-1
CID: 2776363
Formula: C6H10N2O
MW: 126.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.16
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass126.079312947
Monoisotopic Mass126.079312947
Topological Polar Surface Area38.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.1
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

Related Products

CatalogName
Fr16625-01Compound Fr16625
Fr16715-01Compound Fr16715
Fr16613-01Compound Fr16613
Fr16614-01Compound Fr16614
Fr16611-01Compound Fr16611
Fr16665-01Compound Fr16665
Fr16616-01Compound Fr16616
Fr13615-01Compound Fr13615
Fr16610-01Compound Fr16610
Fr12615-01Compound Fr12615

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-14176-01Compound E
255023-01Compound 401
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254
MBS3613444-01Compound W
MBS3613725-01Compound 3344
MBS3613756-01Compound 23

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