1-benzyl-5,6-dimethoxyindazole

C16H16N2O2 — CID 83414174

IUPAC1-benzyl-5,6-dimethoxyindazole
SMILESCOc1cc2cnn(Cc3ccccc3)c2cc1OC
InChIInChI=1S/C16H16N2O2/c1-19-15-8-13-10-17-18(14(13)9-16(15)20-2)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeySRVJNGSFCZTXHO-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.10
Rot. Bonds4

About 1-benzyl-5,6-dimethoxyindazole

1-benzyl-5,6-dimethoxyindazole (PubChem CID 83414174) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-benzyl-5,6-dimethoxyindazole.

Molecular Properties

Compound Name1-benzyl-5,6-dimethoxyindazole
PubChem CID83414174
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-benzyl-5,6-dimethoxyindazole
SMILESCOc1cc2cnn(Cc3ccccc3)c2cc1OC
InChIInChI=1S/C16H16N2O2/c1-19-15-8-13-10-17-18(14(13)9-16(15)20-2)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChIKeySRVJNGSFCZTXHO-UHFFFAOYSA-N
XLogP3.10
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,6-dimethoxyindazole?
The IUPAC name of 1-benzyl-5,6-dimethoxyindazole (CID 83414174) is 1-benzyl-5,6-dimethoxyindazole.
What is the SMILES notation for 1-benzyl-5,6-dimethoxyindazole?
The canonical SMILES for 1-benzyl-5,6-dimethoxyindazole is COc1cc2cnn(Cc3ccccc3)c2cc1OC.
What is the InChIKey of 1-benzyl-5,6-dimethoxyindazole?
The InChIKey is SRVJNGSFCZTXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-15-8-13-10-17-18(14(13)9-16(15)20-2)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3.
What are the key properties of 1-benzyl-5,6-dimethoxyindazole?
1-benzyl-5,6-dimethoxyindazole has a molecular weight of 268.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,6-dimethoxyindazole is sourced from PubChem (CID 83414174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).