propyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate

C15H15ClN2O3 — CID 35623558

IUPACpropyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
SMILESCCCOC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O
InChIInChI=1S/C15H15ClN2O3/c1-3-8-21-15(20)14-13(19)9-10(2)18(17-14)12-6-4-11(16)5-7-12/h4-7,9H,3,8H2,1-2H3
InChIKeyBOZVKAPSLFONQI-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.76
Rot. Bonds4

About propyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate

propyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate (PubChem CID 35623558) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is propyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namepropyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
PubChem CID35623558
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Namepropyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
SMILESCCCOC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O
InChIInChI=1S/C15H15ClN2O3/c1-3-8-21-15(20)14-13(19)9-10(2)18(17-14)12-6-4-11(16)5-7-12/h4-7,9H,3,8H2,1-2H3
InChIKeyBOZVKAPSLFONQI-UHFFFAOYSA-N
XLogP2.76
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Clofencet
CID 123627
Fenridazon
CID 197225
ethyl 1-(4-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 3329931
1-(2-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylic acid
CID 4962426
6-Methyl-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxylic acid
CID 2784470
Ethyl 1-(4-chlorophenyl)-5-cyano-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylate
CID 964664
Clofencet-potassium
CID 23681559
Methyl 1-(3-chlorophenyl)-4-oxo-1,4-dihydro-3-pyridazinecarboxylate
CID 1481307
Ethyl 1-(4-chlorophenyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridazinecarboxylate
CID 3777338
Fenridazon potassium
CID 23667457
Ethyl 1-(4-chloro-2-methylphenyl)-4-oxo-1,4-dihydro-3-pyridazinecarboxylate
CID 851390
1-(4-Chlorophenyl)-4-oxo-1,4-dihydropyridazine-3-carboxylic acid
CID 653448

Frequently Asked Questions

What is the IUPAC name of propyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
The IUPAC name of propyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate (CID 35623558) is propyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for propyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
The canonical SMILES for propyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate is CCCOC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O.
What is the InChIKey of propyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
The InChIKey is BOZVKAPSLFONQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-3-8-21-15(20)14-13(19)9-10(2)18(17-14)12-6-4-11(16)5-7-12/h4-7,9H,3,8H2,1-2H3.
What are the key properties of propyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate?
propyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate has a molecular weight of 306.75 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 35623558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).