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Compound Fr12601

CAT: 0931-Fr12601-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12601-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
499785-47-6
Bioactivity
Compound Fr12601, with CAS No. 499785-47-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12601 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
Cn1ncc(CO)c1-c1ccccc1
Molecular Formula
C11H12N2O
Molecular Weight
188.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CAS Number499785-47-6
PubChem CID2795476
IUPAC Name(1-methyl-5-phenylpyrazol-4-yl)methanol
Molecular FormulaC11H12N2O
Molecular Weight188.23
XLogP1
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity180
SMILES
CN1C(=C(C=N1)CO)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2O/c1-13-11(10(8-14)7-12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3
InChIKey
ZVGZXURABHDVPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CAS: 499785-47-6
CID: 2795476
Formula: C11H12N2O
MW: 188.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.23
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass188.094963011
Monoisotopic Mass188.094963011
Topological Polar Surface Area38.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity180
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
Fr12641-01Compound Fr12641
Fr12610-01Compound Fr12610
Fr12671-01Compound Fr12671
Fr12501-01Compound Fr12501
Fr12301-01Compound Fr12301
Fr12401-01Compound Fr12401
Fr12621-01Compound Fr12621
Fr12611-01Compound Fr12611
Fr12609-01Compound Fr12609
Fr13601-01Compound Fr13601

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