2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide

C19H21N5O4 — CID 90538738

IUPAC2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C19H21N5O4/c1-14-4-5-15(16(12-14)27-2)28-13-18(25)20-9-11-24-19(26)7-6-17(22-24)23-10-3-8-21-23/h3-8,10,12H,9,11,13H2,1-2H3,(H,20,25)
InChIKeyRJDJPMJKCJWZDQ-UHFFFAOYSA-N
MW383.41 g/mol
LogP0.94
Rot. Bonds8

About 2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide

2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide (PubChem CID 90538738) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
PubChem CID90538738
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C19H21N5O4/c1-14-4-5-15(16(12-14)27-2)28-13-18(25)20-9-11-24-19(26)7-6-17(22-24)23-10-3-8-21-23/h3-8,10,12H,9,11,13H2,1-2H3,(H,20,25)
InChIKeyRJDJPMJKCJWZDQ-UHFFFAOYSA-N
XLogP0.94
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide (CID 90538738) is 2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide is COc1cc(C)ccc1OCC(=O)NCCn1nc(-n2cccn2)ccc1=O.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide?
The InChIKey is RJDJPMJKCJWZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-14-4-5-15(16(12-14)27-2)28-13-18(25)20-9-11-24-19(26)7-6-17(22-24)23-10-3-8-21-23/h3-8,10,12H,9,11,13H2,1-2H3,(H,20,25).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide?
2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 383.41 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 90538738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).