4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine

C21H17N3O — CID 155541302

IUPAC4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2-c2ccncc2)c1
InChIInChI=1S/C21H17N3O/c1-25-19-9-5-6-17(14-19)21-20(16-10-12-22-13-11-16)15-24(23-21)18-7-3-2-4-8-18/h2-15H,1H3
InChIKeyYIMHTAOGZUMQLA-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.61
Rot. Bonds4

About 4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine

4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine (PubChem CID 155541302) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine
PubChem CID155541302
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2-c2ccncc2)c1
InChIInChI=1S/C21H17N3O/c1-25-19-9-5-6-17(14-19)21-20(16-10-12-22-13-11-16)15-24(23-21)18-7-3-2-4-8-18/h2-15H,1H3
InChIKeyYIMHTAOGZUMQLA-UHFFFAOYSA-N
XLogP4.61
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine (CID 155541302) is 4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine is COc1cccc(-c2nn(-c3ccccc3)cc2-c2ccncc2)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine?
The InChIKey is YIMHTAOGZUMQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-25-19-9-5-6-17(14-19)21-20(16-10-12-22-13-11-16)15-24(23-21)18-7-3-2-4-8-18/h2-15H,1H3.
What are the key properties of 4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine?
4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine has a molecular weight of 327.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridine is sourced from PubChem (CID 155541302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).