ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate

C20H18N2O4 — CID 132961390

IUPACethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate
SMILESCCOC(=O)c1[nH]nc(-c2ccc(OC)cc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C20H18N2O4/c1-3-26-20(24)18-16(13-7-5-4-6-8-13)19(23)17(21-22-18)14-9-11-15(25-2)12-10-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyFEMNDAYMVJLWJU-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.29
Rot. Bonds5

About ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate

ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate (PubChem CID 132961390) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate
PubChem CID132961390
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Nameethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate
SMILESCCOC(=O)c1[nH]nc(-c2ccc(OC)cc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C20H18N2O4/c1-3-26-20(24)18-16(13-7-5-4-6-8-13)19(23)17(21-22-18)14-9-11-15(25-2)12-10-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyFEMNDAYMVJLWJU-UHFFFAOYSA-N
XLogP3.29
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3,5-bis(4-methylphenyl)-4-oxo-1H-pyridazine-6-carboxylate
CID 132961393
ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
ethane;ethyl 4-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 171093697
ethyl 4-(aminomethyl)-3-phenyl-1H-pyrazole-5-carboxylate
CID 91501788
ethyl 4-butoxy-3-phenyl-1H-pyrazole-5-carboxylate
CID 70245232
ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate
CID 154276205
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
ethyl 5-(2-methoxyphenyl)-4,6-dioxo-2H-pyrrolo[3,4-c]pyrazole-3-carboxylate
CID 46887761
ethyl 3-(4-fluorophenyl)-4-methyl-1H-pyrazole-5-carboxylate
CID 69402118
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
3-amino-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082689
ethyl 2-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 132601961

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate?
The IUPAC name of ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate (CID 132961390) is ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate.
What is the SMILES notation for ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate?
The canonical SMILES for ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate is CCOC(=O)c1[nH]nc(-c2ccc(OC)cc2)c(=O)c1-c1ccccc1.
What is the InChIKey of ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate?
The InChIKey is FEMNDAYMVJLWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-3-26-20(24)18-16(13-7-5-4-6-8-13)19(23)17(21-22-18)14-9-11-15(25-2)12-10-14/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate?
ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate is sourced from PubChem (CID 132961390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).