5-chloro-3-naphthalen-1-yl-1H-indazole

C17H11ClN2 — CID 121402606

IUPAC5-chloro-3-naphthalen-1-yl-1H-indazole
SMILESClc1ccc2[nH]nc(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C17H11ClN2/c18-12-8-9-16-15(10-12)17(20-19-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,19,20)
InChIKeyCQTSADNMLGWCAM-UHFFFAOYSA-N
MW278.74 g/mol
LogP5.04
Rot. Bonds1

About 5-chloro-3-naphthalen-1-yl-1H-indazole

5-chloro-3-naphthalen-1-yl-1H-indazole (PubChem CID 121402606) has the molecular formula C17H11ClN2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-chloro-3-naphthalen-1-yl-1H-indazole.

Molecular Properties

Compound Name5-chloro-3-naphthalen-1-yl-1H-indazole
PubChem CID121402606
Molecular FormulaC17H11ClN2
Molecular Weight278.74 g/mol
Exact Mass278.06
IUPAC Name5-chloro-3-naphthalen-1-yl-1H-indazole
SMILESClc1ccc2[nH]nc(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C17H11ClN2/c18-12-8-9-16-15(10-12)17(20-19-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,19,20)
InChIKeyCQTSADNMLGWCAM-UHFFFAOYSA-N
XLogP5.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.74
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-naphthalen-1-yl-1H-indazole?
The IUPAC name of 5-chloro-3-naphthalen-1-yl-1H-indazole (CID 121402606) is 5-chloro-3-naphthalen-1-yl-1H-indazole.
What is the SMILES notation for 5-chloro-3-naphthalen-1-yl-1H-indazole?
The canonical SMILES for 5-chloro-3-naphthalen-1-yl-1H-indazole is Clc1ccc2[nH]nc(-c3cccc4ccccc34)c2c1.
What is the InChIKey of 5-chloro-3-naphthalen-1-yl-1H-indazole?
The InChIKey is CQTSADNMLGWCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2/c18-12-8-9-16-15(10-12)17(20-19-16)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,19,20).
What are the key properties of 5-chloro-3-naphthalen-1-yl-1H-indazole?
5-chloro-3-naphthalen-1-yl-1H-indazole has a molecular weight of 278.74 g/mol, XLogP of 5.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-naphthalen-1-yl-1H-indazole is sourced from PubChem (CID 121402606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).