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

C14H14N2O4 — CID 63952012

IUPAC4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid
SMILESCC(C)Oc1ccc(-n2ccc(=O)c(C(=O)O)n2)cc1
InChIInChI=1S/C14H14N2O4/c1-9(2)20-11-5-3-10(4-6-11)16-8-7-12(17)13(15-16)14(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyZCHMLCTZAYSJOB-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.72
Rot. Bonds4

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

4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid (PubChem CID 63952012) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid
PubChem CID63952012
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid
SMILESCC(C)Oc1ccc(-n2ccc(=O)c(C(=O)O)n2)cc1
InChIInChI=1S/C14H14N2O4/c1-9(2)20-11-5-3-10(4-6-11)16-8-7-12(17)13(15-16)14(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyZCHMLCTZAYSJOB-UHFFFAOYSA-N
XLogP1.72
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid
CID 63952218
4-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
CID 63951618
1-[4-(difluoromethoxy)phenyl]-3-(3-methyliminopropanoyl)pyridazin-4-one
CID 123654940
5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid
CID 82484395
1-(2-ethylphenyl)-4-oxopyridazine-3-carboxylic acid
CID 63951805
1-(4-methoxyphenyl)-3-[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 50841022
1-(4-bromo-3-fluorophenyl)-4-oxopyridazine-3-carboxylic acid
CID 65437037
1-(4-propan-2-yloxyphenyl)pyrazole
CID 171743656
1-phenyl-3-propan-2-yloxypyrazole
CID 176705910
N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 7693130
methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
CID 2764302
methyl 1-(4-iodophenyl)-4-oxopyridazine-3-carboxylate
CID 63953640

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid (CID 63952012) is 4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid is CC(C)Oc1ccc(-n2ccc(=O)c(C(=O)O)n2)cc1.
What is the InChIKey of 4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid?
The InChIKey is ZCHMLCTZAYSJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9(2)20-11-5-3-10(4-6-11)16-8-7-12(17)13(15-16)14(18)19/h3-9H,1-2H3,(H,18,19).
What are the key properties of 4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid?
4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-(4-propan-2-yloxyphenyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 63952012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).