2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine

C22H19N3O2 — CID 15956871

IUPAC2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine
SMILESCOc1ccc(OCc2ccccc2)c(-c2ccn(-c3ccccn3)n2)c1
InChIInChI=1S/C22H19N3O2/c1-26-18-10-11-21(27-16-17-7-3-2-4-8-17)19(15-18)20-12-14-25(24-20)22-9-5-6-13-23-22/h2-15H,16H2,1H3
InChIKeySVQFMYGAJXUUSV-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.52
Rot. Bonds6

About 2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine

2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine (PubChem CID 15956871) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine
PubChem CID15956871
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine
SMILESCOc1ccc(OCc2ccccc2)c(-c2ccn(-c3ccccn3)n2)c1
InChIInChI=1S/C22H19N3O2/c1-26-18-10-11-21(27-16-17-7-3-2-4-8-17)19(15-18)20-12-14-25(24-20)22-9-5-6-13-23-22/h2-15H,16H2,1H3
InChIKeySVQFMYGAJXUUSV-UHFFFAOYSA-N
XLogP4.52
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine?
The IUPAC name of 2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine (CID 15956871) is 2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine?
The canonical SMILES for 2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine is COc1ccc(OCc2ccccc2)c(-c2ccn(-c3ccccn3)n2)c1.
What is the InChIKey of 2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine?
The InChIKey is SVQFMYGAJXUUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-26-18-10-11-21(27-16-17-7-3-2-4-8-17)19(15-18)20-12-14-25(24-20)22-9-5-6-13-23-22/h2-15H,16H2,1H3.
What are the key properties of 2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine?
2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine has a molecular weight of 357.41 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 15956871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).