2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline

C24H16FN3 — CID 142291654

IUPAC2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline
SMILESFc1ccc2nc(-c3cc(-c4ccccc4)nn3-c3ccccc3)ccc2c1
InChIInChI=1S/C24H16FN3/c25-19-12-14-21-18(15-19)11-13-22(26-21)24-16-23(17-7-3-1-4-8-17)27-28(24)20-9-5-2-6-10-20/h1-16H
InChIKeyBJYBYBFVFGOQMV-UHFFFAOYSA-N
MW365.41 g/mol
LogP5.89
Rot. Bonds3

About 2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline

2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline (PubChem CID 142291654) has the molecular formula C24H16FN3 and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline
PubChem CID142291654
Molecular FormulaC24H16FN3
Molecular Weight365.41 g/mol
Exact Mass365.13
IUPAC Name2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline
SMILESFc1ccc2nc(-c3cc(-c4ccccc4)nn3-c3ccccc3)ccc2c1
InChIInChI=1S/C24H16FN3/c25-19-12-14-21-18(15-19)11-13-22(26-21)24-16-23(17-7-3-1-4-8-17)27-28(24)20-9-5-2-6-10-20/h1-16H
InChIKeyBJYBYBFVFGOQMV-UHFFFAOYSA-N
XLogP5.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline?
The IUPAC name of 2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline (CID 142291654) is 2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline?
The canonical SMILES for 2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline is Fc1ccc2nc(-c3cc(-c4ccccc4)nn3-c3ccccc3)ccc2c1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline?
The InChIKey is BJYBYBFVFGOQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3/c25-19-12-14-21-18(15-19)11-13-22(26-21)24-16-23(17-7-3-1-4-8-17)27-28(24)20-9-5-2-6-10-20/h1-16H.
What are the key properties of 2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline?
2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline has a molecular weight of 365.41 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-5-yl)-6-fluoroquinoline is sourced from PubChem (CID 142291654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).