1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine

C19H20N4 — CID 101492195

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine
SMILESC/C(=N\c1ccc(C)cc1)c1cccc(-n2nc(C)cc2C)n1
InChIInChI=1S/C19H20N4/c1-13-8-10-17(11-9-13)20-16(4)18-6-5-7-19(21-18)23-15(3)12-14(2)22-23/h5-12H,1-4H3/b20-16+
InChIKeyVEMGZDCKPLPOCZ-CAPFRKAQSA-N
MW304.40 g/mol
LogP4.33
Rot. Bonds3

About 1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine

1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine (PubChem CID 101492195) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine
PubChem CID101492195
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine
SMILESC/C(=N\c1ccc(C)cc1)c1cccc(-n2nc(C)cc2C)n1
InChIInChI=1S/C19H20N4/c1-13-8-10-17(11-9-13)20-16(4)18-6-5-7-19(21-18)23-15(3)12-14(2)22-23/h5-12H,1-4H3/b20-16+
InChIKeyVEMGZDCKPLPOCZ-CAPFRKAQSA-N
XLogP4.33
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine (CID 101492195) is 1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine is C/C(=N\c1ccc(C)cc1)c1cccc(-n2nc(C)cc2C)n1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine?
The InChIKey is VEMGZDCKPLPOCZ-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H20N4/c1-13-8-10-17(11-9-13)20-16(4)18-6-5-7-19(21-18)23-15(3)12-14(2)22-23/h5-12H,1-4H3/b20-16+.
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine?
1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine has a molecular weight of 304.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-(4-methylphenyl)ethanimine is sourced from PubChem (CID 101492195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).