ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate

C19H19N5O4 — CID 90517480

IUPACethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(C)n2nc(-n3cccn3)ccc2=O)cc1
InChIInChI=1S/C19H19N5O4/c1-3-28-19(27)14-5-7-15(8-6-14)21-18(26)13(2)24-17(25)10-9-16(22-24)23-12-4-11-20-23/h4-13H,3H2,1-2H3,(H,21,26)
InChIKeyYXRWJPJHYFFLDA-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.81
Rot. Bonds6

About ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate

ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate (PubChem CID 90517480) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate
PubChem CID90517480
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Nameethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C(C)n2nc(-n3cccn3)ccc2=O)cc1
InChIInChI=1S/C19H19N5O4/c1-3-28-19(27)14-5-7-15(8-6-14)21-18(26)13(2)24-17(25)10-9-16(22-24)23-12-4-11-20-23/h4-13H,3H2,1-2H3,(H,21,26)
InChIKeyYXRWJPJHYFFLDA-UHFFFAOYSA-N
XLogP1.81
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517462
N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517675
2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 90517531
methyl 4-[[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetyl]amino]benzoate
CID 90517251
ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride
CID 53428809
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517663
ethyl 4-[[methyl-(4-pyrazol-1-ylphenyl)carbamoyl]amino]benzoate
CID 165368602
ethyl 4-(2-chloropropanoylamino)benzoate
CID 42599434
bromomethane;ethyl 4-[2-(diethylamino)propanoylamino]benzoate
CID 3026437
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 121149372
ethyl 4-[[(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92880889
ethyl 4-[4-(2-methylpropanoylamino)anilino]benzoate
CID 112989351

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate?
The IUPAC name of ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate (CID 90517480) is ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate.
What is the SMILES notation for ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate?
The canonical SMILES for ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)C(C)n2nc(-n3cccn3)ccc2=O)cc1.
What is the InChIKey of ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate?
The InChIKey is YXRWJPJHYFFLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-3-28-19(27)14-5-7-15(8-6-14)21-18(26)13(2)24-17(25)10-9-16(22-24)23-12-4-11-20-23/h4-13H,3H2,1-2H3,(H,21,26).
What are the key properties of ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate?
ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate has a molecular weight of 381.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate is sourced from PubChem (CID 90517480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).