1-benzyl-3-methoxyindazole

C15H14N2O — CID 14898708

IUPAC1-benzyl-3-methoxyindazole
SMILESCOc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H14N2O/c1-18-15-13-9-5-6-10-14(13)17(16-15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyWKRXNLHIWBMTPM-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.09
Rot. Bonds3

About 1-benzyl-3-methoxyindazole

1-benzyl-3-methoxyindazole (PubChem CID 14898708) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-benzyl-3-methoxyindazole.

Molecular Properties

Compound Name1-benzyl-3-methoxyindazole
PubChem CID14898708
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-benzyl-3-methoxyindazole
SMILESCOc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C15H14N2O/c1-18-15-13-9-5-6-10-14(13)17(16-15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyWKRXNLHIWBMTPM-UHFFFAOYSA-N
XLogP3.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methoxyindazole?
The IUPAC name of 1-benzyl-3-methoxyindazole (CID 14898708) is 1-benzyl-3-methoxyindazole.
What is the SMILES notation for 1-benzyl-3-methoxyindazole?
The canonical SMILES for 1-benzyl-3-methoxyindazole is COc1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-3-methoxyindazole?
The InChIKey is WKRXNLHIWBMTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-18-15-13-9-5-6-10-14(13)17(16-15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of 1-benzyl-3-methoxyindazole?
1-benzyl-3-methoxyindazole has a molecular weight of 238.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methoxyindazole is sourced from PubChem (CID 14898708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).