2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide

C18H18N4O2 — CID 165415154

IUPAC2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2ccccn2)nn1C
InChIInChI=1S/C18H18N4O2/c1-3-24-16-10-5-4-8-13(16)18(23)20-17-12-15(21-22(17)2)14-9-6-7-11-19-14/h4-12H,3H2,1-2H3,(H,20,23)
InChIKeyNNTKMYPITKSMOD-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.13
Rot. Bonds5

About 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide

2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide (PubChem CID 165415154) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide
PubChem CID165415154
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2ccccn2)nn1C
InChIInChI=1S/C18H18N4O2/c1-3-24-16-10-5-4-8-13(16)18(23)20-17-12-15(21-22(17)2)14-9-6-7-11-19-14/h4-12H,3H2,1-2H3,(H,20,23)
InChIKeyNNTKMYPITKSMOD-UHFFFAOYSA-N
XLogP3.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide 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 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide?
The IUPAC name of 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide (CID 165415154) is 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide is CCOc1ccccc1C(=O)Nc1cc(-c2ccccn2)nn1C.
What is the InChIKey of 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide?
The InChIKey is NNTKMYPITKSMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-24-16-10-5-4-8-13(16)18(23)20-17-12-15(21-22(17)2)14-9-6-7-11-19-14/h4-12H,3H2,1-2H3,(H,20,23).
What are the key properties of 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide?
2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)benzamide is sourced from PubChem (CID 165415154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).