1-methyl-3-(naphthalen-2-ylmethoxy)indazole

C19H16N2O — CID 51356766

IUPAC1-methyl-3-(naphthalen-2-ylmethoxy)indazole
SMILESCn1nc(OCc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C19H16N2O/c1-21-18-9-5-4-8-17(18)19(20-21)22-13-14-10-11-15-6-2-3-7-16(15)12-14/h2-12H,13H2,1H3
InChIKeyKRFDPHJBGPEELW-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.31
Rot. Bonds3

About 1-methyl-3-(naphthalen-2-ylmethoxy)indazole

1-methyl-3-(naphthalen-2-ylmethoxy)indazole (PubChem CID 51356766) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-methyl-3-(naphthalen-2-ylmethoxy)indazole.

Molecular Properties

Compound Name1-methyl-3-(naphthalen-2-ylmethoxy)indazole
PubChem CID51356766
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-methyl-3-(naphthalen-2-ylmethoxy)indazole
SMILESCn1nc(OCc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C19H16N2O/c1-21-18-9-5-4-8-17(18)19(20-21)22-13-14-10-11-15-6-2-3-7-16(15)12-14/h2-12H,13H2,1H3
InChIKeyKRFDPHJBGPEELW-UHFFFAOYSA-N
XLogP4.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(naphthalen-2-ylmethoxy)indazole?
The IUPAC name of 1-methyl-3-(naphthalen-2-ylmethoxy)indazole (CID 51356766) is 1-methyl-3-(naphthalen-2-ylmethoxy)indazole.
What is the SMILES notation for 1-methyl-3-(naphthalen-2-ylmethoxy)indazole?
The canonical SMILES for 1-methyl-3-(naphthalen-2-ylmethoxy)indazole is Cn1nc(OCc2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(naphthalen-2-ylmethoxy)indazole?
The InChIKey is KRFDPHJBGPEELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-21-18-9-5-4-8-17(18)19(20-21)22-13-14-10-11-15-6-2-3-7-16(15)12-14/h2-12H,13H2,1H3.
What are the key properties of 1-methyl-3-(naphthalen-2-ylmethoxy)indazole?
1-methyl-3-(naphthalen-2-ylmethoxy)indazole has a molecular weight of 288.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(naphthalen-2-ylmethoxy)indazole is sourced from PubChem (CID 51356766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).