3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile

C19H16FN3O — CID 22479694

IUPAC3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(-c1ccc(F)cc1)nn2C1CCCCO1
InChIInChI=1S/C19H16FN3O/c20-15-7-5-14(6-8-15)19-16-11-13(12-21)4-9-17(16)23(22-19)18-3-1-2-10-24-18/h4-9,11,18H,1-3,10H2
InChIKeyCFRMPQBHCJGIJO-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.41
Rot. Bonds2

About 3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile

3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile (PubChem CID 22479694) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
PubChem CID22479694
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(-c1ccc(F)cc1)nn2C1CCCCO1
InChIInChI=1S/C19H16FN3O/c20-15-7-5-14(6-8-15)19-16-11-13(12-21)4-9-17(16)23(22-19)18-3-1-2-10-24-18/h4-9,11,18H,1-3,10H2
InChIKeyCFRMPQBHCJGIJO-UHFFFAOYSA-N
XLogP4.41
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
The IUPAC name of 3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile (CID 22479694) is 3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
The canonical SMILES for 3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile is N#Cc1ccc2c(c1)c(-c1ccc(F)cc1)nn2C1CCCCO1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
The InChIKey is CFRMPQBHCJGIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-15-7-5-14(6-8-15)19-16-11-13(12-21)4-9-17(16)23(22-19)18-3-1-2-10-24-18/h4-9,11,18H,1-3,10H2.
What are the key properties of 3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile?
3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile has a molecular weight of 321.36 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile is sourced from PubChem (CID 22479694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).