6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid

C16H16N2O4 — CID 70472952

IUPAC6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid
SMILESCCC(=O)c1c(CC)n(-c2ccccc2)nc(C(=O)O)c1=O
InChIInChI=1S/C16H16N2O4/c1-3-11-13(12(19)4-2)15(20)14(16(21)22)17-18(11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyJPZNQTPYTHPMCR-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.09
Rot. Bonds5

About 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid

6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid (PubChem CID 70472952) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid
PubChem CID70472952
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid
SMILESCCC(=O)c1c(CC)n(-c2ccccc2)nc(C(=O)O)c1=O
InChIInChI=1S/C16H16N2O4/c1-3-11-13(12(19)4-2)15(20)14(16(21)22)17-18(11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyJPZNQTPYTHPMCR-UHFFFAOYSA-N
XLogP2.09
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichlorophenyl)-6-ethyl-4-oxo-5-propanoylpyridazine-3-carboxylic acid
CID 70473116
5-acetyl-6-ethyl-4-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
CID 70401102
5-bromo-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylic acid
CID 19806948
3-(3,5-dichlorophenyl)-5-ethyl-1-phenylpyrazole-4-carboxylic acid
CID 3846496
dimethyl 6-ethyl-1-(4-iodophenyl)-4-oxopyridazine-3,5-dicarboxylate
CID 14031206
copper bis(3-methyl-1-phenyl-4-propanoylpyrazol-5-olate)
CID 6515106
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603
potassium 5-acetyl-1-(4-chlorophenyl)-6-ethyl-4-oxopyridazine-3-carboxylate
CID 70517969
N-cyclopropyl-5-ethyl-3-methyl-1-phenylpyrazole-4-carboxamide
CID 42818280
5-ethyl-3-methyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67119556
6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid
CID 19806953
dimethyl 5-(methoxymethyl)-1-phenylpyrazole-3,4-dicarboxylate
CID 15942029

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid?
The IUPAC name of 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid (CID 70472952) is 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid is CCC(=O)c1c(CC)n(-c2ccccc2)nc(C(=O)O)c1=O.
What is the InChIKey of 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid?
The InChIKey is JPZNQTPYTHPMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-11-13(12(19)4-2)15(20)14(16(21)22)17-18(11)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid?
6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-oxo-1-phenyl-5-propanoylpyridazine-3-carboxylic acid is sourced from PubChem (CID 70472952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).