2-naphthalen-1-ylindazole

C17H12N2 — CID 72567193

IUPAC2-naphthalen-1-ylindazole
SMILESc1ccc2nn(-c3cccc4ccccc34)cc2c1
InChIInChI=1S/C17H12N2/c1-3-9-15-13(6-1)8-5-11-17(15)19-12-14-7-2-4-10-16(14)18-19/h1-12H
InChIKeyLFANAKGQOOGXMK-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.18
Rot. Bonds1

About 2-naphthalen-1-ylindazole

2-naphthalen-1-ylindazole (PubChem CID 72567193) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-naphthalen-1-ylindazole.

Molecular Properties

Compound Name2-naphthalen-1-ylindazole
PubChem CID72567193
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name2-naphthalen-1-ylindazole
SMILESc1ccc2nn(-c3cccc4ccccc34)cc2c1
InChIInChI=1S/C17H12N2/c1-3-9-15-13(6-1)8-5-11-17(15)19-12-14-7-2-4-10-16(14)18-19/h1-12H
InChIKeyLFANAKGQOOGXMK-UHFFFAOYSA-N
XLogP4.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylindazole?
The IUPAC name of 2-naphthalen-1-ylindazole (CID 72567193) is 2-naphthalen-1-ylindazole.
What is the SMILES notation for 2-naphthalen-1-ylindazole?
The canonical SMILES for 2-naphthalen-1-ylindazole is c1ccc2nn(-c3cccc4ccccc34)cc2c1.
What is the InChIKey of 2-naphthalen-1-ylindazole?
The InChIKey is LFANAKGQOOGXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-3-9-15-13(6-1)8-5-11-17(15)19-12-14-7-2-4-10-16(14)18-19/h1-12H.
What are the key properties of 2-naphthalen-1-ylindazole?
2-naphthalen-1-ylindazole has a molecular weight of 244.30 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylindazole is sourced from PubChem (CID 72567193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).