1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone

C20H19FN2O2 — CID 22480112

IUPAC1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)c(-c1ccc(F)cc1)nn2C1CCCCO1
InChIInChI=1S/C20H19FN2O2/c1-13(24)15-7-10-18-17(12-15)20(14-5-8-16(21)9-6-14)22-23(18)19-4-2-3-11-25-19/h5-10,12,19H,2-4,11H2,1H3
InChIKeyJMOHOKPMOIWLTL-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.74
Rot. Bonds3

About 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone

1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone (PubChem CID 22480112) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone
PubChem CID22480112
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)c(-c1ccc(F)cc1)nn2C1CCCCO1
InChIInChI=1S/C20H19FN2O2/c1-13(24)15-7-10-18-17(12-15)20(14-5-8-16(21)9-6-14)22-23(18)19-4-2-3-11-25-19/h5-10,12,19H,2-4,11H2,1H3
InChIKeyJMOHOKPMOIWLTL-UHFFFAOYSA-N
XLogP4.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone (CID 22480112) is 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone is CC(=O)c1ccc2c(c1)c(-c1ccc(F)cc1)nn2C1CCCCO1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone?
The InChIKey is JMOHOKPMOIWLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13(24)15-7-10-18-17(12-15)20(14-5-8-16(21)9-6-14)22-23(18)19-4-2-3-11-25-19/h5-10,12,19H,2-4,11H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone?
1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone has a molecular weight of 338.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]ethanone is sourced from PubChem (CID 22480112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).