1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone

C20H16N2O2 — CID 15840362

IUPAC1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C20H16N2O2/c1-14(23)18-11-12-19(24-18)20-16-9-5-6-10-17(16)22(21-20)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyMZOPYCTWWREEMP-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.55
Rot. Bonds4

About 1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone

1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone (PubChem CID 15840362) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone
PubChem CID15840362
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C20H16N2O2/c1-14(23)18-11-12-19(24-18)20-16-9-5-6-10-17(16)22(21-20)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyMZOPYCTWWREEMP-UHFFFAOYSA-N
XLogP4.55
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone?
The IUPAC name of 1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone (CID 15840362) is 1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone?
The canonical SMILES for 1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone is CC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of 1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone?
The InChIKey is MZOPYCTWWREEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-14(23)18-11-12-19(24-18)20-16-9-5-6-10-17(16)22(21-20)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3.
What are the key properties of 1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone?
1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone has a molecular weight of 316.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzylindazol-3-yl)furan-2-yl]ethanone is sourced from PubChem (CID 15840362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).