5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole

C23H15ClN2 — CID 121402601

IUPAC5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole
SMILESClc1ccc2[nH]nc(-c3ccc(-c4cccc5ccccc45)cc3)c2c1
InChIInChI=1S/C23H15ClN2/c24-18-12-13-22-21(14-18)23(26-25-22)17-10-8-16(9-11-17)20-7-3-5-15-4-1-2-6-19(15)20/h1-14H,(H,25,26)
InChIKeySRVVOIMWXHZEDA-UHFFFAOYSA-N
MW354.84 g/mol
LogP6.70
Rot. Bonds2

About 5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole

5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole (PubChem CID 121402601) has the molecular formula C23H15ClN2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole.

Molecular Properties

Compound Name5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole
PubChem CID121402601
Molecular FormulaC23H15ClN2
Molecular Weight354.84 g/mol
Exact Mass354.09
IUPAC Name5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole
SMILESClc1ccc2[nH]nc(-c3ccc(-c4cccc5ccccc45)cc3)c2c1
InChIInChI=1S/C23H15ClN2/c24-18-12-13-22-21(14-18)23(26-25-22)17-10-8-16(9-11-17)20-7-3-5-15-4-1-2-6-19(15)20/h1-14H,(H,25,26)
InChIKeySRVVOIMWXHZEDA-UHFFFAOYSA-N
XLogP6.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole?
The IUPAC name of 5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole (CID 121402601) is 5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole.
What is the SMILES notation for 5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole?
The canonical SMILES for 5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole is Clc1ccc2[nH]nc(-c3ccc(-c4cccc5ccccc45)cc3)c2c1.
What is the InChIKey of 5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole?
The InChIKey is SRVVOIMWXHZEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2/c24-18-12-13-22-21(14-18)23(26-25-22)17-10-8-16(9-11-17)20-7-3-5-15-4-1-2-6-19(15)20/h1-14H,(H,25,26).
What are the key properties of 5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole?
5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole has a molecular weight of 354.84 g/mol, XLogP of 6.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole is sourced from PubChem (CID 121402601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).