4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine

C23H20FN3O — CID 53465552

IUPAC4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine
SMILESFCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C23H20FN3O/c24-12-15-27-16-22(19-10-13-25-14-11-19)23(26-27)20-6-8-21(9-7-20)28-17-18-4-2-1-3-5-18/h1-11,13-14,16H,12,15,17H2
InChIKeyAEURQMHZPJWRQI-UHFFFAOYSA-N
MW373.43 g/mol
LogP5.16
Rot. Bonds7

About 4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine

4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine (PubChem CID 53465552) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine
PubChem CID53465552
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine
SMILESFCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C23H20FN3O/c24-12-15-27-16-22(19-10-13-25-14-11-19)23(26-27)20-6-8-21(9-7-20)28-17-18-4-2-1-3-5-18/h1-11,13-14,16H,12,15,17H2
InChIKeyAEURQMHZPJWRQI-UHFFFAOYSA-N
XLogP5.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine (CID 53465552) is 4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine is FCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of 4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine?
The InChIKey is AEURQMHZPJWRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-12-15-27-16-22(19-10-13-25-14-11-19)23(26-27)20-6-8-21(9-7-20)28-17-18-4-2-1-3-5-18/h1-11,13-14,16H,12,15,17H2.
What are the key properties of 4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine?
4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine has a molecular weight of 373.43 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoroethyl)-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 53465552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).