5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole

C22H18ClFN2 — CID 163234142

IUPAC5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole
SMILESCCc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(C)c3)c2)cc1Cl
InChIInChI=1S/C22H18ClFN2/c1-3-15-4-5-17(12-20(15)23)16-6-9-22-18(11-16)13-25-26(22)19-7-8-21(24)14(2)10-19/h4-13H,3H2,1-2H3
InChIKeyNZEISZBPYWYJJZ-UHFFFAOYSA-N
MW364.85 g/mol
LogP6.36
Rot. Bonds3

About 5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole

5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole (PubChem CID 163234142) has the molecular formula C22H18ClFN2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole.

Molecular Properties

Compound Name5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole
PubChem CID163234142
Molecular FormulaC22H18ClFN2
Molecular Weight364.85 g/mol
Exact Mass364.11
IUPAC Name5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole
SMILESCCc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(C)c3)c2)cc1Cl
InChIInChI=1S/C22H18ClFN2/c1-3-15-4-5-17(12-20(15)23)16-6-9-22-18(11-16)13-25-26(22)19-7-8-21(24)14(2)10-19/h4-13H,3H2,1-2H3
InChIKeyNZEISZBPYWYJJZ-UHFFFAOYSA-N
XLogP6.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.85
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole?
The IUPAC name of 5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole (CID 163234142) is 5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole.
What is the SMILES notation for 5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole?
The canonical SMILES for 5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole is CCc1ccc(-c2ccc3c(cnn3-c3ccc(F)c(C)c3)c2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole?
The InChIKey is NZEISZBPYWYJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2/c1-3-15-4-5-17(12-20(15)23)16-6-9-22-18(11-16)13-25-26(22)19-7-8-21(24)14(2)10-19/h4-13H,3H2,1-2H3.
What are the key properties of 5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole?
5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole has a molecular weight of 364.85 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)indazole is sourced from PubChem (CID 163234142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).