1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide

C20H19ClN4O3S — CID 26926496

IUPAC1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1C
InChIInChI=1S/C20H19ClN4O3S/c1-4-16-11(2)9-17(29-16)19(27)22-23-20(28)18-15(26)10-12(3)25(24-18)14-7-5-13(21)6-8-14/h5-10H,4H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyNGSWFFOBWSWTRN-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.20
Rot. Bonds4

About 1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide

1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide (PubChem CID 26926496) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
PubChem CID26926496
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1C
InChIInChI=1S/C20H19ClN4O3S/c1-4-16-11(2)9-17(29-16)19(27)22-23-20(28)18-15(26)10-12(3)25(24-18)14-7-5-13(21)6-8-14/h5-10H,4H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyNGSWFFOBWSWTRN-UHFFFAOYSA-N
XLogP3.20
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chlorobenzoyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 27669104
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
1-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9088610
N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 26924295
1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 25441787
1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
1-(4-chlorophenyl)-6-methyl-N-(5-methylhexan-2-yl)-4-oxopyridazine-3-carboxamide
CID 46515956
6-methyl-4-oxo-1-phenyl-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)pyridazine-3-carbohydrazide
CID 31846426
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-(4-methyl-1,3-benzothiazol-2-yl)-4-oxopyridazine-3-carboxamide
CID 9192872
N'-(3-chlorobenzoyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 9086701
1-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 27674757

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
The IUPAC name of 1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide (CID 26926496) is 1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
The canonical SMILES for 1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide is CCc1sc(C(=O)NNC(=O)c2nn(-c3ccc(Cl)cc3)c(C)cc2=O)cc1C.
What is the InChIKey of 1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
The InChIKey is NGSWFFOBWSWTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-4-16-11(2)9-17(29-16)19(27)22-23-20(28)18-15(26)10-12(3)25(24-18)14-7-5-13(21)6-8-14/h5-10H,4H2,1-3H3,(H,22,27)(H,23,28).
What are the key properties of 1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide?
1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide has a molecular weight of 430.92 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-6-methyl-4-oxopyridazine-3-carbohydrazide is sourced from PubChem (CID 26926496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).