3-(4-methoxyphenyl)-1-methylindazole

C15H14N2O — CID 673272

IUPAC3-(4-methoxyphenyl)-1-methylindazole
SMILESCOc1ccc(-c2nn(C)c3ccccc23)cc1
InChIInChI=1S/C15H14N2O/c1-17-14-6-4-3-5-13(14)15(16-17)11-7-9-12(18-2)10-8-11/h3-10H,1-2H3
InChIKeyHJAGPLGQJPZPAP-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.25
Rot. Bonds2

About 3-(4-methoxyphenyl)-1-methylindazole

3-(4-methoxyphenyl)-1-methylindazole (PubChem CID 673272) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methylindazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methylindazole
PubChem CID673272
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-(4-methoxyphenyl)-1-methylindazole
SMILESCOc1ccc(-c2nn(C)c3ccccc23)cc1
InChIInChI=1S/C15H14N2O/c1-17-14-6-4-3-5-13(14)15(16-17)11-7-9-12(18-2)10-8-11/h3-10H,1-2H3
InChIKeyHJAGPLGQJPZPAP-UHFFFAOYSA-N
XLogP3.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methylindazole?
The IUPAC name of 3-(4-methoxyphenyl)-1-methylindazole (CID 673272) is 3-(4-methoxyphenyl)-1-methylindazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methylindazole?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methylindazole is COc1ccc(-c2nn(C)c3ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methylindazole?
The InChIKey is HJAGPLGQJPZPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-17-14-6-4-3-5-13(14)15(16-17)11-7-9-12(18-2)10-8-11/h3-10H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methylindazole?
3-(4-methoxyphenyl)-1-methylindazole has a molecular weight of 238.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methylindazole is sourced from PubChem (CID 673272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).