3-naphthalen-1-yl-1H-indazole

C17H12N2 — CID 67310705

IUPAC3-naphthalen-1-yl-1H-indazole
SMILESc1ccc2c(-c3n[nH]c4ccccc34)cccc2c1
InChIInChI=1S/C17H12N2/c1-2-8-13-12(6-1)7-5-10-14(13)17-15-9-3-4-11-16(15)18-19-17/h1-11H,(H,18,19)
InChIKeyXCHNPCGUQADFGD-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.38
Rot. Bonds1

About 3-naphthalen-1-yl-1H-indazole

3-naphthalen-1-yl-1H-indazole (PubChem CID 67310705) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1H-indazole.

Molecular Properties

Compound Name3-naphthalen-1-yl-1H-indazole
PubChem CID67310705
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name3-naphthalen-1-yl-1H-indazole
SMILESc1ccc2c(-c3n[nH]c4ccccc34)cccc2c1
InChIInChI=1S/C17H12N2/c1-2-8-13-12(6-1)7-5-10-14(13)17-15-9-3-4-11-16(15)18-19-17/h1-11H,(H,18,19)
InChIKeyXCHNPCGUQADFGD-UHFFFAOYSA-N
XLogP4.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-1H-indazole?
The IUPAC name of 3-naphthalen-1-yl-1H-indazole (CID 67310705) is 3-naphthalen-1-yl-1H-indazole.
What is the SMILES notation for 3-naphthalen-1-yl-1H-indazole?
The canonical SMILES for 3-naphthalen-1-yl-1H-indazole is c1ccc2c(-c3n[nH]c4ccccc34)cccc2c1.
What is the InChIKey of 3-naphthalen-1-yl-1H-indazole?
The InChIKey is XCHNPCGUQADFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-2-8-13-12(6-1)7-5-10-14(13)17-15-9-3-4-11-16(15)18-19-17/h1-11H,(H,18,19).
What are the key properties of 3-naphthalen-1-yl-1H-indazole?
3-naphthalen-1-yl-1H-indazole has a molecular weight of 244.30 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1H-indazole is sourced from PubChem (CID 67310705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).