Cas no 214541-51-2 (4-(2h-indazol-3-yl)butan-2-one)

4-(2H-Indazol-3-yl)butan-2-one is a heterocyclic organic compound featuring an indazole core linked to a butanone moiety. This structure imparts versatility in synthetic applications, particularly as an intermediate in pharmaceutical and agrochemical research. The indazole group offers potential for hydrogen bonding and π-stacking interactions, enhancing binding affinity in bioactive molecules. The ketone functionality provides a reactive site for further derivatization, enabling the synthesis of diverse analogs. Its well-defined chemical properties and stability under standard conditions make it suitable for controlled reactions in medicinal chemistry. This compound is valued for its role in developing novel therapeutic agents, particularly in kinase inhibitor and anticancer research.

4-(2h-indazol-3-yl)butan-2-one structure

214541-51-2 structure

Product Name:4-(2h-indazol-3-yl)butan-2-one

CAS No:214541-51-2

MF:C₁₁H₁₂N₂O

MW:188.225782394409

CID:1401214

PubChem ID:53426124

Update Time:2025-06-08

4-(2h-indazol-3-yl)butan-2-one Chemical and Physical Properties

Names and Identifiers

- 4-(2h-indazol-3-yl)butan-2-one
- 3-(3-indazolyl)propionic acid
- 3-indazolylpropionic acid
- 4-(1H-INDAZOL-3-YL)BUTAN-2-ONE
- 3-(1H-indazol-3-yl) propanoic acid
- CTK4E6829
- AG-E-57217
- Indazole-3-propionic acid
- 1H-Indazole-3-propionic acid
- SureCN4881861
- 3-indazol-3-yl-propionic acid
- KB-237130
- Z1638523280
- DA-48307
- AKOS006307898
- 1021910-43-9
- 214541-51-2
- DTXSID00699074
- EN300-131210
- SCHEMBL4881861
- Inchi： 1S/C11H12N2O/c1-8(14)6-7-11-9-4-2-3-5-10(9)12-13-11/h2-5H,6-7H2,1H3,(H,12,13)
- InChI Key： CDLAOGKXZIBTLH-UHFFFAOYSA-N
- SMILES： O=C(C)CCC1=C2C=CC=CC2=NN1

Computed Properties

Exact Mass: 188.09506
Monoisotopic Mass: 188.094963011g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 14
Rotatable Bond Count: 3
Complexity: 217
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.5
Topological Polar Surface Area: 45.8?2

Experimental Properties

PSA: 45.75

4-(2h-indazol-3-yl)butan-2-one Pricemore >>

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