5-chloro-3-(3-phenylphenyl)-1H-indazole

C19H13ClN2 — CID 121402594

IUPAC5-chloro-3-(3-phenylphenyl)-1H-indazole
SMILESClc1ccc2[nH]nc(-c3cccc(-c4ccccc4)c3)c2c1
InChIInChI=1S/C19H13ClN2/c20-16-9-10-18-17(12-16)19(22-21-18)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H,(H,21,22)
InChIKeyGWLXRHSMNGONIO-UHFFFAOYSA-N
MW304.78 g/mol
LogP5.55
Rot. Bonds2

About 5-chloro-3-(3-phenylphenyl)-1H-indazole

5-chloro-3-(3-phenylphenyl)-1H-indazole (PubChem CID 121402594) has the molecular formula C19H13ClN2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-3-(3-phenylphenyl)-1H-indazole.

Molecular Properties

Compound Name5-chloro-3-(3-phenylphenyl)-1H-indazole
PubChem CID121402594
Molecular FormulaC19H13ClN2
Molecular Weight304.78 g/mol
Exact Mass304.08
IUPAC Name5-chloro-3-(3-phenylphenyl)-1H-indazole
SMILESClc1ccc2[nH]nc(-c3cccc(-c4ccccc4)c3)c2c1
InChIInChI=1S/C19H13ClN2/c20-16-9-10-18-17(12-16)19(22-21-18)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H,(H,21,22)
InChIKeyGWLXRHSMNGONIO-UHFFFAOYSA-N
XLogP5.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.78
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-phenylphenyl)-1H-indazole?
The IUPAC name of 5-chloro-3-(3-phenylphenyl)-1H-indazole (CID 121402594) is 5-chloro-3-(3-phenylphenyl)-1H-indazole.
What is the SMILES notation for 5-chloro-3-(3-phenylphenyl)-1H-indazole?
The canonical SMILES for 5-chloro-3-(3-phenylphenyl)-1H-indazole is Clc1ccc2[nH]nc(-c3cccc(-c4ccccc4)c3)c2c1.
What is the InChIKey of 5-chloro-3-(3-phenylphenyl)-1H-indazole?
The InChIKey is GWLXRHSMNGONIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2/c20-16-9-10-18-17(12-16)19(22-21-18)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H,(H,21,22).
What are the key properties of 5-chloro-3-(3-phenylphenyl)-1H-indazole?
5-chloro-3-(3-phenylphenyl)-1H-indazole has a molecular weight of 304.78 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-phenylphenyl)-1H-indazole is sourced from PubChem (CID 121402594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).