1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide

C17H15ClN4O4 — CID 17454351

IUPAC1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide
SMILESCc1ccc(N2N=C(C(=O)NNC(=O)c3ccco3)CCC2=O)cc1Cl
InChIInChI=1S/C17H15ClN4O4/c1-10-4-5-11(9-12(10)18)22-15(23)7-6-13(21-22)16(24)19-20-17(25)14-3-2-8-26-14/h2-5,8-9H,6-7H2,1H3,(H,19,24)(H,20,25)
InChIKeyUFCJQUCEZXNMHI-UHFFFAOYSA-N
MW374.78 g/mol
LogP2.19
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide

1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide (PubChem CID 17454351) has the molecular formula C17H15ClN4O4 and a molecular weight of 374.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide
PubChem CID17454351
Molecular FormulaC17H15ClN4O4
Molecular Weight374.78 g/mol
Exact Mass374.08
IUPAC Name1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide
SMILESCc1ccc(N2N=C(C(=O)NNC(=O)c3ccco3)CCC2=O)cc1Cl
InChIInChI=1S/C17H15ClN4O4/c1-10-4-5-11(9-12(10)18)22-15(23)7-6-13(21-22)16(24)19-20-17(25)14-3-2-8-26-14/h2-5,8-9H,6-7H2,1H3,(H,19,24)(H,20,25)
InChIKeyUFCJQUCEZXNMHI-UHFFFAOYSA-N
XLogP2.19
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 52.19
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

1-(3-chloro-4-methylphenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-4,5-dihydropyridazine-3-carboxamide
CID 16591096
N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43064051
1-(2,5-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 46519529
1-(3-chloro-4-methylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47031142
2-(3-chloro-4-methylphenyl)-6-[4-(4-nitrophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 16961764
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16600449
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 942686
1-(2,5-dimethylphenyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55660924
2-(3-chloro-4-methylphenyl)-5-phenyl-4H-pyrazol-3-one
CID 28829622
N-[furan-2-yl(phenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 134029367
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113047767
N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide
CID 9367033

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide (CID 17454351) is 1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide is Cc1ccc(N2N=C(C(=O)NNC(=O)c3ccco3)CCC2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide?
The InChIKey is UFCJQUCEZXNMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4/c1-10-4-5-11(9-12(10)18)22-15(23)7-6-13(21-22)16(24)19-20-17(25)14-3-2-8-26-14/h2-5,8-9H,6-7H2,1H3,(H,19,24)(H,20,25).
What are the key properties of 1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide?
1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide has a molecular weight of 374.78 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N'-(furan-2-carbonyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide is sourced from PubChem (CID 17454351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).