4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine

C27H20FN3O — CID 67106588

IUPAC4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2nn(Cc3cccc(Oc4ccccc4)c3)cc2-c2ccncc2)cc1
InChIInChI=1S/C27H20FN3O/c28-23-11-9-22(10-12-23)27-26(21-13-15-29-16-14-21)19-31(30-27)18-20-5-4-8-25(17-20)32-24-6-2-1-3-7-24/h1-17,19H,18H2
InChIKeyOVEWHTPRHWGNHO-UHFFFAOYSA-N
MW421.48 g/mol
LogP6.59
Rot. Bonds6

About 4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine

4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine (PubChem CID 67106588) has the molecular formula C27H20FN3O and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine
PubChem CID67106588
Molecular FormulaC27H20FN3O
Molecular Weight421.48 g/mol
Exact Mass421.16
IUPAC Name4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2nn(Cc3cccc(Oc4ccccc4)c3)cc2-c2ccncc2)cc1
InChIInChI=1S/C27H20FN3O/c28-23-11-9-22(10-12-23)27-26(21-13-15-29-16-14-21)19-31(30-27)18-20-5-4-8-25(17-20)32-24-6-2-1-3-7-24/h1-17,19H,18H2
InChIKeyOVEWHTPRHWGNHO-UHFFFAOYSA-N
XLogP6.59
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.48
LogP ≤ 56.59
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-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine (CID 67106588) is 4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine is Fc1ccc(-c2nn(Cc3cccc(Oc4ccccc4)c3)cc2-c2ccncc2)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine?
The InChIKey is OVEWHTPRHWGNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O/c28-23-11-9-22(10-12-23)27-26(21-13-15-29-16-14-21)19-31(30-27)18-20-5-4-8-25(17-20)32-24-6-2-1-3-7-24/h1-17,19H,18H2.
What are the key properties of 4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine?
4-[3-(4-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine has a molecular weight of 421.48 g/mol, XLogP of 6.59, 6 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-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]pyridine is sourced from PubChem (CID 67106588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).