5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid

C15H16N2O4 — CID 63952218

IUPAC5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid
SMILESCc1cn(-c2ccc(OC(C)C)cc2)nc(C(=O)O)c1=O
InChIInChI=1S/C15H16N2O4/c1-9(2)21-12-6-4-11(5-7-12)17-8-10(3)14(18)13(16-17)15(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyOBMTUMMQLLXJOQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.03
Rot. Bonds4

About 5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid

5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid (PubChem CID 63952218) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid
PubChem CID63952218
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid
SMILESCc1cn(-c2ccc(OC(C)C)cc2)nc(C(=O)O)c1=O
InChIInChI=1S/C15H16N2O4/c1-9(2)21-12-6-4-11(5-7-12)17-8-10(3)14(18)13(16-17)15(19)20/h4-9H,1-3H3,(H,19,20)
InChIKeyOBMTUMMQLLXJOQ-UHFFFAOYSA-N
XLogP2.03
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid
CID 63952012
1-(3-chloro-4-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 63952624
5-methyl-4-oxo-1-pyridin-3-ylpyridazine-3-carboxylic acid
CID 58072535
5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid
CID 82484395
5-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
CID 58072379
1-(2,5-dichloro-4-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 104728390
1-(4-propan-2-yloxyphenyl)pyrazole
CID 171743656
4-methoxy-1-phenyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyrazole-3-carboxamide
CID 33157859
1-(4-fluoro-2-iodophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 79771802
1-(4-bromo-2-chlorophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 63953833
3-[1-(4-propan-2-yloxyphenyl)triazol-4-yl]propanoic acid
CID 107460448
2,4-dioxo-1-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxylic acid
CID 79874433

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid?
The IUPAC name of 5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid (CID 63952218) is 5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid is Cc1cn(-c2ccc(OC(C)C)cc2)nc(C(=O)O)c1=O.
What is the InChIKey of 5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid?
The InChIKey is OBMTUMMQLLXJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(2)21-12-6-4-11(5-7-12)17-8-10(3)14(18)13(16-17)15(19)20/h4-9H,1-3H3,(H,19,20).
What are the key properties of 5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid?
5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 63952218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).