4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine

C23H21N3O2 — CID 118726577

IUPAC4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2cc(-c3cn[nH]c3-c3cc(C)cc(OC)c3)ccn2)cc1
InChIInChI=1S/C23H21N3O2/c1-15-10-18(12-20(11-15)28-3)23-21(14-25-26-23)17-8-9-24-22(13-17)16-4-6-19(27-2)7-5-16/h4-14H,1-3H3,(H,25,26)
InChIKeyUBAFETGQAZMNKV-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.13
Rot. Bonds5

About 4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine

4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine (PubChem CID 118726577) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine
PubChem CID118726577
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2cc(-c3cn[nH]c3-c3cc(C)cc(OC)c3)ccn2)cc1
InChIInChI=1S/C23H21N3O2/c1-15-10-18(12-20(11-15)28-3)23-21(14-25-26-23)17-8-9-24-22(13-17)16-4-6-19(27-2)7-5-16/h4-14H,1-3H3,(H,25,26)
InChIKeyUBAFETGQAZMNKV-UHFFFAOYSA-N
XLogP5.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine?
The IUPAC name of 4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine (CID 118726577) is 4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine.
What is the SMILES notation for 4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine?
The canonical SMILES for 4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine is COc1ccc(-c2cc(-c3cn[nH]c3-c3cc(C)cc(OC)c3)ccn2)cc1.
What is the InChIKey of 4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine?
The InChIKey is UBAFETGQAZMNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-10-18(12-20(11-15)28-3)23-21(14-25-26-23)17-8-9-24-22(13-17)16-4-6-19(27-2)7-5-16/h4-14H,1-3H3,(H,25,26).
What are the key properties of 4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine?
4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine has a molecular weight of 371.44 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)pyridine is sourced from PubChem (CID 118726577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).