6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole

C23H20ClFN2 — CID 163234517

IUPAC6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole
SMILESCCc1cc(-c2n[nH]c3cc(-c4ccc(CC)c(Cl)c4)ccc23)ccc1F
InChIInChI=1S/C23H20ClFN2/c1-3-14-5-6-16(12-20(14)24)17-7-9-19-22(13-17)26-27-23(19)18-8-10-21(25)15(4-2)11-18/h5-13H,3-4H2,1-2H3,(H,26,27)
InChIKeyHZUYCHVDXPIBBC-UHFFFAOYSA-N
MW378.88 g/mol
LogP6.81
Rot. Bonds4

About 6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole

6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole (PubChem CID 163234517) has the molecular formula C23H20ClFN2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole.

Molecular Properties

Compound Name6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole
PubChem CID163234517
Molecular FormulaC23H20ClFN2
Molecular Weight378.88 g/mol
Exact Mass378.13
IUPAC Name6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole
SMILESCCc1cc(-c2n[nH]c3cc(-c4ccc(CC)c(Cl)c4)ccc23)ccc1F
InChIInChI=1S/C23H20ClFN2/c1-3-14-5-6-16(12-20(14)24)17-7-9-19-22(13-17)26-27-23(19)18-8-10-21(25)15(4-2)11-18/h5-13H,3-4H2,1-2H3,(H,26,27)
InChIKeyHZUYCHVDXPIBBC-UHFFFAOYSA-N
XLogP6.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.88
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole?
The IUPAC name of 6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole (CID 163234517) is 6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole.
What is the SMILES notation for 6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole?
The canonical SMILES for 6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole is CCc1cc(-c2n[nH]c3cc(-c4ccc(CC)c(Cl)c4)ccc23)ccc1F.
What is the InChIKey of 6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole?
The InChIKey is HZUYCHVDXPIBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2/c1-3-14-5-6-16(12-20(14)24)17-7-9-19-22(13-17)26-27-23(19)18-8-10-21(25)15(4-2)11-18/h5-13H,3-4H2,1-2H3,(H,26,27).
What are the key properties of 6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole?
6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole has a molecular weight of 378.88 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-ethylphenyl)-3-(3-ethyl-4-fluorophenyl)-1H-indazole is sourced from PubChem (CID 163234517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).