5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine

C17H17N3O — CID 129142491

IUPAC5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine
SMILESCOc1ccc(-c2ccn(-c3ccc(C)c(C)c3)n2)cn1
InChIInChI=1S/C17H17N3O/c1-12-4-6-15(10-13(12)2)20-9-8-16(19-20)14-5-7-17(21-3)18-11-14/h4-11H,1-3H3
InChIKeyAQMRMPIDKJSGOP-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.56
Rot. Bonds3

About 5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine

5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine (PubChem CID 129142491) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine
PubChem CID129142491
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine
SMILESCOc1ccc(-c2ccn(-c3ccc(C)c(C)c3)n2)cn1
InChIInChI=1S/C17H17N3O/c1-12-4-6-15(10-13(12)2)20-9-8-16(19-20)14-5-7-17(21-3)18-11-14/h4-11H,1-3H3
InChIKeyAQMRMPIDKJSGOP-UHFFFAOYSA-N
XLogP3.56
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine?
The IUPAC name of 5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine (CID 129142491) is 5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine?
The canonical SMILES for 5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine is COc1ccc(-c2ccn(-c3ccc(C)c(C)c3)n2)cn1.
What is the InChIKey of 5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine?
The InChIKey is AQMRMPIDKJSGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-4-6-15(10-13(12)2)20-9-8-16(19-20)14-5-7-17(21-3)18-11-14/h4-11H,1-3H3.
What are the key properties of 5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine?
5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine has a molecular weight of 279.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-dimethylphenyl)pyrazol-3-yl]-2-methoxypyridine is sourced from PubChem (CID 129142491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).