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

C20H20FN3O — CID 67106860

IUPAC4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-methylpyridine
SMILESCc1cc(-c2cn(C3CCCCO3)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C20H20FN3O/c1-14-12-16(9-10-22-14)18-13-24(19-4-2-3-11-25-19)23-20(18)15-5-7-17(21)8-6-15/h5-10,12-13,19H,2-4,11H2,1H3
InChIKeyGERCDDKCTUASGA-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.76
Rot. Bonds3

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

4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-methylpyridine (PubChem CID 67106860) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-methylpyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-methylpyridine
PubChem CID67106860
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-methylpyridine
SMILESCc1cc(-c2cn(C3CCCCO3)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C20H20FN3O/c1-14-12-16(9-10-22-14)18-13-24(19-4-2-3-11-25-19)23-20(18)15-5-7-17(21)8-6-15/h5-10,12-13,19H,2-4,11H2,1H3
InChIKeyGERCDDKCTUASGA-UHFFFAOYSA-N
XLogP4.76
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.76
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]-2-methylpyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-methylpyridine (CID 67106860) is 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-methylpyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-methylpyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-methylpyridine is Cc1cc(-c2cn(C3CCCCO3)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-methylpyridine?
The InChIKey is GERCDDKCTUASGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14-12-16(9-10-22-14)18-13-24(19-4-2-3-11-25-19)23-20(18)15-5-7-17(21)8-6-15/h5-10,12-13,19H,2-4,11H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-methylpyridine?
4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-methylpyridine has a molecular weight of 337.40 g/mol, XLogP of 4.76, 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]-2-methylpyridine is sourced from PubChem (CID 67106860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).