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

C19H18FN3O — CID 67107099

IUPAC4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2nn(C3CCCCO3)cc2-c2ccncc2)cc1
InChIInChI=1S/C19H18FN3O/c20-16-6-4-15(5-7-16)19-17(14-8-10-21-11-9-14)13-23(22-19)18-3-1-2-12-24-18/h4-11,13,18H,1-3,12H2
InChIKeySZEPPQHZZRPUHY-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.45
Rot. Bonds3

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

4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine (PubChem CID 67107099) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
PubChem CID67107099
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2nn(C3CCCCO3)cc2-c2ccncc2)cc1
InChIInChI=1S/C19H18FN3O/c20-16-6-4-15(5-7-16)19-17(14-8-10-21-11-9-14)13-23(22-19)18-3-1-2-12-24-18/h4-11,13,18H,1-3,12H2
InChIKeySZEPPQHZZRPUHY-UHFFFAOYSA-N
XLogP4.45
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.45
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]pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine (CID 67107099) is 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine is Fc1ccc(-c2nn(C3CCCCO3)cc2-c2ccncc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The InChIKey is SZEPPQHZZRPUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-16-6-4-15(5-7-16)19-17(14-8-10-21-11-9-14)13-23(22-19)18-3-1-2-12-24-18/h4-11,13,18H,1-3,12H2.
What are the key properties of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine has a molecular weight of 323.37 g/mol, XLogP of 4.45, 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]pyridine is sourced from PubChem (CID 67107099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).