N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide

C19H14Cl2N4O3 — CID 27669104

IUPACN'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NNC(=O)c2cccc(Cl)c2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N4O3/c1-11-9-16(26)17(24-25(11)15-7-5-13(20)6-8-15)19(28)23-22-18(27)12-3-2-4-14(21)10-12/h2-10H,1H3,(H,22,27)(H,23,28)
InChIKeyCQNBLZVEAMQTSO-UHFFFAOYSA-N
MW417.25 g/mol
LogP2.92
Rot. Bonds3

About N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide

N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide (PubChem CID 27669104) has the molecular formula C19H14Cl2N4O3 and a molecular weight of 417.25 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
PubChem CID27669104
Molecular FormulaC19H14Cl2N4O3
Molecular Weight417.25 g/mol
Exact Mass416.04
IUPAC NameN'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
SMILESCc1cc(=O)c(C(=O)NNC(=O)c2cccc(Cl)c2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2N4O3/c1-11-9-16(26)17(24-25(11)15-7-5-13(20)6-8-15)19(28)23-22-18(27)12-3-2-4-14(21)10-12/h2-10H,1H3,(H,22,27)(H,23,28)
InChIKeyCQNBLZVEAMQTSO-UHFFFAOYSA-N
XLogP2.92
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 9086701
1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 25441787
N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 26924295
1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9088610
1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 26926496
1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
dimethyl 5-[[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 27667598
N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191963
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 46458084
1-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 38323508
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668271
1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide
CID 46515956

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide (CID 27669104) is N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide is Cc1cc(=O)c(C(=O)NNC(=O)c2cccc(Cl)c2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
The InChIKey is CQNBLZVEAMQTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O3/c1-11-9-16(26)17(24-25(11)15-7-5-13(20)6-8-15)19(28)23-22-18(27)12-3-2-4-14(21)10-12/h2-10H,1H3,(H,22,27)(H,23,28).
What are the key properties of N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide has a molecular weight of 417.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 27669104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).