2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide

C17H16N4O2 — CID 165415266

IUPAC2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2ccccn2)[nH]n1
InChIInChI=1S/C17H16N4O2/c1-2-23-15-9-4-3-7-12(15)17(22)19-16-11-14(20-21-16)13-8-5-6-10-18-13/h3-11H,2H2,1H3,(H2,19,20,21,22)
InChIKeyJBEXPCCJVBMERQ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.12
Rot. Bonds5

About 2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide

2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 165415266) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID165415266
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1cc(-c2ccccn2)[nH]n1
InChIInChI=1S/C17H16N4O2/c1-2-23-15-9-4-3-7-12(15)17(22)19-16-11-14(20-21-16)13-8-5-6-10-18-13/h3-11H,2H2,1H3,(H2,19,20,21,22)
InChIKeyJBEXPCCJVBMERQ-UHFFFAOYSA-N
XLogP3.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide (CID 165415266) is 2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide is CCOc1ccccc1C(=O)Nc1cc(-c2ccccn2)[nH]n1.
What is the InChIKey of 2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is JBEXPCCJVBMERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-23-15-9-4-3-7-12(15)17(22)19-16-11-14(20-21-16)13-8-5-6-10-18-13/h3-11H,2H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide?
2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 308.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 165415266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).