ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate

C14H14N2O4 — CID 63950822

IUPACethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccc(OC)c2)ccc1=O
InChIInChI=1S/C14H14N2O4/c1-3-20-14(18)13-12(17)7-8-16(15-13)10-5-4-6-11(9-10)19-2/h4-9H,3H2,1-2H3
InChIKeyMAWOGABQWYFIRN-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.42
Rot. Bonds4

About ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate

ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate (PubChem CID 63950822) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate
PubChem CID63950822
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Nameethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccc(OC)c2)ccc1=O
InChIInChI=1S/C14H14N2O4/c1-3-20-14(18)13-12(17)7-8-16(15-13)10-5-4-6-11(9-10)19-2/h4-9H,3H2,1-2H3
InChIKeyMAWOGABQWYFIRN-UHFFFAOYSA-N
XLogP1.42
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(3-ethoxyphenyl)-4-oxopyridazine-3-carboxylate
CID 63981532
ethyl 1-(3,5-dimethylphenyl)-4-oxopyridazine-3-carboxylate
CID 63952405
ethyl 2-[3-[[1-(3-methoxyphenyl)-4-oxopyridazin-3-yl]methyl]phenyl]acetate
CID 157053112
ethyl 1-(3-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate
CID 63952618
2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid
CID 82390451
ethyl 1-(5-bromo-2,4-difluorophenyl)-4-oxopyridazine-3-carboxylate
CID 102855148
ethyl 1-(2-fluoro-4-methylphenyl)-4-oxopyridazine-3-carboxylate
CID 63951418
ethyl 4-bromo-1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 162639245
ethyl 1-(4-bromo-2-methylphenyl)-4-oxopyridazine-3-carboxylate
CID 81286998
ethyl 4-bromo-1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 162639246
lithium;ethyl 1-(3-methoxyphenyl)triazole-4-carboxylate;1-(3-methoxyphenyl)triazole-4-carboxylic acid;hydroxide
CID 159859815
ethyl 5-(ethoxycarbonylamino)-3-(3-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 7502087

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate?
The IUPAC name of ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate (CID 63950822) is ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate is CCOC(=O)c1nn(-c2cccc(OC)c2)ccc1=O.
What is the InChIKey of ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate?
The InChIKey is MAWOGABQWYFIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-20-14(18)13-12(17)7-8-16(15-13)10-5-4-6-11(9-10)19-2/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate?
ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methoxyphenyl)-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 63950822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).