4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline

C23H20FN3O — CID 67107156

IUPAC4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline
SMILESFc1ccc(-c2nn(C3CCCCO3)cc2-c2ccnc3ccccc23)cc1
InChIInChI=1S/C23H20FN3O/c24-17-10-8-16(9-11-17)23-20(15-27(26-23)22-7-3-4-14-28-22)18-12-13-25-21-6-2-1-5-19(18)21/h1-2,5-6,8-13,15,22H,3-4,7,14H2
InChIKeyDLSRIBPVAPKPLO-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.60
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline

4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline (PubChem CID 67107156) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline
PubChem CID67107156
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline
SMILESFc1ccc(-c2nn(C3CCCCO3)cc2-c2ccnc3ccccc23)cc1
InChIInChI=1S/C23H20FN3O/c24-17-10-8-16(9-11-17)23-20(15-27(26-23)22-7-3-4-14-28-22)18-12-13-25-21-6-2-1-5-19(18)21/h1-2,5-6,8-13,15,22H,3-4,7,14H2
InChIKeyDLSRIBPVAPKPLO-UHFFFAOYSA-N
XLogP5.60
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline (CID 67107156) is 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline is Fc1ccc(-c2nn(C3CCCCO3)cc2-c2ccnc3ccccc23)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline?
The InChIKey is DLSRIBPVAPKPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-17-10-8-16(9-11-17)23-20(15-27(26-23)22-7-3-4-14-28-22)18-12-13-25-21-6-2-1-5-19(18)21/h1-2,5-6,8-13,15,22H,3-4,7,14H2.
What are the key properties of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline?
4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline has a molecular weight of 373.43 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]quinoline is sourced from PubChem (CID 67107156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).