3-(1-benzylindazol-3-yl)propanal

C17H16N2O — CID 167222160

IUPAC3-(1-benzylindazol-3-yl)propanal
SMILESO=CCCc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H16N2O/c20-12-6-10-16-15-9-4-5-11-17(15)19(18-16)13-14-7-2-1-3-8-14/h1-5,7-9,11-12H,6,10,13H2
InChIKeyLJXKDKKNWGTSLY-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.22
Rot. Bonds5

About 3-(1-benzylindazol-3-yl)propanal

3-(1-benzylindazol-3-yl)propanal (PubChem CID 167222160) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(1-benzylindazol-3-yl)propanal.

Molecular Properties

Compound Name3-(1-benzylindazol-3-yl)propanal
PubChem CID167222160
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-(1-benzylindazol-3-yl)propanal
SMILESO=CCCc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H16N2O/c20-12-6-10-16-15-9-4-5-11-17(15)19(18-16)13-14-7-2-1-3-8-14/h1-5,7-9,11-12H,6,10,13H2
InChIKeyLJXKDKKNWGTSLY-UHFFFAOYSA-N
XLogP3.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindazol-3-yl)propanal?
The IUPAC name of 3-(1-benzylindazol-3-yl)propanal (CID 167222160) is 3-(1-benzylindazol-3-yl)propanal.
What is the SMILES notation for 3-(1-benzylindazol-3-yl)propanal?
The canonical SMILES for 3-(1-benzylindazol-3-yl)propanal is O=CCCc1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-(1-benzylindazol-3-yl)propanal?
The InChIKey is LJXKDKKNWGTSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-12-6-10-16-15-9-4-5-11-17(15)19(18-16)13-14-7-2-1-3-8-14/h1-5,7-9,11-12H,6,10,13H2.
What are the key properties of 3-(1-benzylindazol-3-yl)propanal?
3-(1-benzylindazol-3-yl)propanal has a molecular weight of 264.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindazol-3-yl)propanal is sourced from PubChem (CID 167222160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).