1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone

C15H11FN2O — CID 22480020

IUPAC1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone
SMILESCC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C15H11FN2O/c1-9(19)11-4-7-14-13(8-11)15(18-17-14)10-2-5-12(16)6-3-10/h2-8H,1H3,(H,17,18)
InChIKeyCTKRAHWUSUSCDX-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.57
Rot. Bonds2

About 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone

1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone (PubChem CID 22480020) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone
PubChem CID22480020
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone
SMILESCC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C15H11FN2O/c1-9(19)11-4-7-14-13(8-11)15(18-17-14)10-2-5-12(16)6-3-10/h2-8H,1H3,(H,17,18)
InChIKeyCTKRAHWUSUSCDX-UHFFFAOYSA-N
XLogP3.57
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone (CID 22480020) is 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone is CC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone?
The InChIKey is CTKRAHWUSUSCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-9(19)11-4-7-14-13(8-11)15(18-17-14)10-2-5-12(16)6-3-10/h2-8H,1H3,(H,17,18).
What are the key properties of 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone?
1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone has a molecular weight of 254.26 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethanone is sourced from PubChem (CID 22480020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).