5-(1-benzylindazol-3-yl)furan-2-carbaldehyde

C19H14N2O2 — CID 11312687

IUPAC5-(1-benzylindazol-3-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C19H14N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKeyGGTLRAQCZKLGIQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.16
Rot. Bonds4

About 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde

5-(1-benzylindazol-3-yl)furan-2-carbaldehyde (PubChem CID 11312687) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(1-benzylindazol-3-yl)furan-2-carbaldehyde
PubChem CID11312687
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name5-(1-benzylindazol-3-yl)furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C19H14N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,13H,12H2
InChIKeyGGTLRAQCZKLGIQ-UHFFFAOYSA-N
XLogP4.16
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde (CID 11312687) is 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde is O=Cc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde?
The InChIKey is GGTLRAQCZKLGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,13H,12H2.
What are the key properties of 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde?
5-(1-benzylindazol-3-yl)furan-2-carbaldehyde has a molecular weight of 302.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylindazol-3-yl)furan-2-carbaldehyde is sourced from PubChem (CID 11312687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).