5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole

C21H17FN2O — CID 46830801

IUPAC5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole
SMILESCCOc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H17FN2O/c1-2-25-20-5-3-4-15(13-20)16-6-11-21-17(12-16)14-23-24(21)19-9-7-18(22)8-10-19/h3-14H,2H2,1H3
InChIKeyGHPKGWAUDHFBQX-UHFFFAOYSA-N
MW332.38 g/mol
LogP5.23
Rot. Bonds4

About 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole

5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole (PubChem CID 46830801) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole.

Molecular Properties

Compound Name5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole
PubChem CID46830801
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole
SMILESCCOc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C21H17FN2O/c1-2-25-20-5-3-4-15(13-20)16-6-11-21-17(12-16)14-23-24(21)19-9-7-18(22)8-10-19/h3-14H,2H2,1H3
InChIKeyGHPKGWAUDHFBQX-UHFFFAOYSA-N
XLogP5.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole?
The IUPAC name of 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole (CID 46830801) is 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole.
What is the SMILES notation for 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole?
The canonical SMILES for 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole is CCOc1cccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.
What is the InChIKey of 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole?
The InChIKey is GHPKGWAUDHFBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c1-2-25-20-5-3-4-15(13-20)16-6-11-21-17(12-16)14-23-24(21)19-9-7-18(22)8-10-19/h3-14H,2H2,1H3.
What are the key properties of 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole?
5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole has a molecular weight of 332.38 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxyphenyl)-1-(4-fluorophenyl)indazole is sourced from PubChem (CID 46830801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).