methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate

C14H12Cl2N2O3 — CID 63951630

IUPACmethyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate
SMILESCCc1cn(-c2cc(Cl)cc(Cl)c2)nc(C(=O)OC)c1=O
InChIInChI=1S/C14H12Cl2N2O3/c1-3-8-7-18(11-5-9(15)4-10(16)6-11)17-12(13(8)19)14(20)21-2/h4-7H,3H2,1-2H3
InChIKeyRMUWSHRFJTXYGW-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.89
Rot. Bonds3

About methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate

methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate (PubChem CID 63951630) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate
PubChem CID63951630
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Namemethyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate
SMILESCCc1cn(-c2cc(Cl)cc(Cl)c2)nc(C(=O)OC)c1=O
InChIInChI=1S/C14H12Cl2N2O3/c1-3-8-7-18(11-5-9(15)4-10(16)6-11)17-12(13(8)19)14(20)21-2/h4-7H,3H2,1-2H3
InChIKeyRMUWSHRFJTXYGW-UHFFFAOYSA-N
XLogP2.89
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
CID 63951631
methyl 5-ethyl-1-(4-iodophenyl)-4-oxopyridazine-3-carboxylate
CID 63953636
methyl 1-(4-bromo-2-chlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate
CID 63951428
methyl 1-(4-bromo-3-chlorophenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 107617183
methyl 1-(5-chloro-2-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 63952442
methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 81289323
ethyl 1-(3-bromophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate
CID 63952233
ethyl 1-(3,5-dichlorophenyl)-4-formylpyrazole-3-carboxylate
CID 71743488
N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84615216
1-(5-chloro-2-methylphenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
CID 63952441
methyl 1-(3-chloro-4-fluorophenyl)-4-hydroxypyrazole-3-carboxylate
CID 705932
methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
CID 2764302

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate?
The IUPAC name of methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate (CID 63951630) is methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate is CCc1cn(-c2cc(Cl)cc(Cl)c2)nc(C(=O)OC)c1=O.
What is the InChIKey of methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate?
The InChIKey is RMUWSHRFJTXYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-3-8-7-18(11-5-9(15)4-10(16)6-11)17-12(13(8)19)14(20)21-2/h4-7H,3H2,1-2H3.
What are the key properties of methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate?
methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate has a molecular weight of 327.17 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,5-dichlorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate is sourced from PubChem (CID 63951630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).