N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide

C17H17N5O3 — CID 56765793

IUPACN-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C17H17N5O3/c23-16(13-25-14-5-2-1-3-6-14)18-10-12-22-17(24)8-7-15(20-22)21-11-4-9-19-21/h1-9,11H,10,12-13H2,(H,18,23)
InChIKeyPFQJTODSBFQYQW-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.62
Rot. Bonds7

About N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide

N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide (PubChem CID 56765793) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide
PubChem CID56765793
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C17H17N5O3/c23-16(13-25-14-5-2-1-3-6-14)18-10-12-22-17(24)8-7-15(20-22)21-11-4-9-19-21/h1-9,11H,10,12-13H2,(H,18,23)
InChIKeyPFQJTODSBFQYQW-UHFFFAOYSA-N
XLogP0.62
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide (CID 56765793) is N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCn1nc(-n2cccn2)ccc1=O.
What is the InChIKey of N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is PFQJTODSBFQYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-16(13-25-14-5-2-1-3-6-14)18-10-12-22-17(24)8-7-15(20-22)21-11-4-9-19-21/h1-9,11H,10,12-13H2,(H,18,23).
What are the key properties of N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide?
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 339.36 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 56765793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).