4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine

C22H18FN3O — CID 68575516

IUPAC4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccccc3)cc2F)n1
InChIInChI=1S/C22H18FN3O/c1-26-14-20(17-9-11-24-12-10-17)22(25-26)19-8-7-18(13-21(19)23)27-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyZMLNSLUEQXRXKB-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.87
Rot. Bonds5

About 4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine

4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine (PubChem CID 68575516) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine
PubChem CID68575516
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccccc3)cc2F)n1
InChIInChI=1S/C22H18FN3O/c1-26-14-20(17-9-11-24-12-10-17)22(25-26)19-8-7-18(13-21(19)23)27-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyZMLNSLUEQXRXKB-UHFFFAOYSA-N
XLogP4.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine (CID 68575516) is 4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccccc3)cc2F)n1.
What is the InChIKey of 4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine?
The InChIKey is ZMLNSLUEQXRXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-26-14-20(17-9-11-24-12-10-17)22(25-26)19-8-7-18(13-21(19)23)27-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3.
What are the key properties of 4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine?
4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine has a molecular weight of 359.40 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-4-yl]pyridine is sourced from PubChem (CID 68575516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).