1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine

C18H21N3O — CID 139392982

IUPAC1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine
SMILESCCOc1ccc(N2C=C(c3cn[nH]c3)C(C)=CC2)c(C)c1
InChIInChI=1S/C18H21N3O/c1-4-22-16-5-6-18(14(3)9-16)21-8-7-13(2)17(12-21)15-10-19-20-11-15/h5-7,9-12H,4,8H2,1-3H3,(H,19,20)
InChIKeyFZTRQHPJSWAPHC-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.92
Rot. Bonds4

About 1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine

1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine (PubChem CID 139392982) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine
PubChem CID139392982
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine
SMILESCCOc1ccc(N2C=C(c3cn[nH]c3)C(C)=CC2)c(C)c1
InChIInChI=1S/C18H21N3O/c1-4-22-16-5-6-18(14(3)9-16)21-8-7-13(2)17(12-21)15-10-19-20-11-15/h5-7,9-12H,4,8H2,1-3H3,(H,19,20)
InChIKeyFZTRQHPJSWAPHC-UHFFFAOYSA-N
XLogP3.92
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine?
The IUPAC name of 1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine (CID 139392982) is 1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine.
What is the SMILES notation for 1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine?
The canonical SMILES for 1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine is CCOc1ccc(N2C=C(c3cn[nH]c3)C(C)=CC2)c(C)c1.
What is the InChIKey of 1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine?
The InChIKey is FZTRQHPJSWAPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-4-22-16-5-6-18(14(3)9-16)21-8-7-13(2)17(12-21)15-10-19-20-11-15/h5-7,9-12H,4,8H2,1-3H3,(H,19,20).
What are the key properties of 1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine?
1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine has a molecular weight of 295.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylphenyl)-4-methyl-5-(1H-pyrazol-4-yl)-2H-pyridine is sourced from PubChem (CID 139392982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).