1-benzyl-6-ethenylindazole

C16H14N2 — CID 58486291

IUPAC1-benzyl-6-ethenylindazole
SMILESC=Cc1ccc2cnn(Cc3ccccc3)c2c1
InChIInChI=1S/C16H14N2/c1-2-13-8-9-15-11-17-18(16(15)10-13)12-14-6-4-3-5-7-14/h2-11H,1,12H2
InChIKeyLUCZZWKYCLNYKJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.73
Rot. Bonds3

About 1-benzyl-6-ethenylindazole

1-benzyl-6-ethenylindazole (PubChem CID 58486291) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-benzyl-6-ethenylindazole.

Molecular Properties

Compound Name1-benzyl-6-ethenylindazole
PubChem CID58486291
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name1-benzyl-6-ethenylindazole
SMILESC=Cc1ccc2cnn(Cc3ccccc3)c2c1
InChIInChI=1S/C16H14N2/c1-2-13-8-9-15-11-17-18(16(15)10-13)12-14-6-4-3-5-7-14/h2-11H,1,12H2
InChIKeyLUCZZWKYCLNYKJ-UHFFFAOYSA-N
XLogP3.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-ethenylindazole?
The IUPAC name of 1-benzyl-6-ethenylindazole (CID 58486291) is 1-benzyl-6-ethenylindazole.
What is the SMILES notation for 1-benzyl-6-ethenylindazole?
The canonical SMILES for 1-benzyl-6-ethenylindazole is C=Cc1ccc2cnn(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-ethenylindazole?
The InChIKey is LUCZZWKYCLNYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-13-8-9-15-11-17-18(16(15)10-13)12-14-6-4-3-5-7-14/h2-11H,1,12H2.
What are the key properties of 1-benzyl-6-ethenylindazole?
1-benzyl-6-ethenylindazole has a molecular weight of 234.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-ethenylindazole is sourced from PubChem (CID 58486291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).