N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

C18H15Cl2N5O3 — CID 27686221

IUPACN'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N\NC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C18H15Cl2N5O3/c1-11-15(16(20)25(24-11)13-5-2-4-12(19)8-13)10-22-23-18(27)17(26)21-9-14-6-3-7-28-14/h2-8,10H,9H2,1H3,(H,21,26)(H,23,27)/b22-10-
InChIKeyDMCYXCHIGCPJLB-YVNNLAQVSA-N
MW420.26 g/mol
LogP2.85
Rot. Bonds5

About N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide

N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (PubChem CID 27686221) has the molecular formula C18H15Cl2N5O3 and a molecular weight of 420.26 g/mol. Its IUPAC name is N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
PubChem CID27686221
Molecular FormulaC18H15Cl2N5O3
Molecular Weight420.26 g/mol
Exact Mass419.06
IUPAC NameN'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
SMILESCc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N\NC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C18H15Cl2N5O3/c1-11-15(16(20)25(24-11)13-5-2-4-12(19)8-13)10-22-23-18(27)17(26)21-9-14-6-3-7-28-14/h2-8,10H,9H2,1H3,(H,21,26)(H,23,27)/b22-10-
InChIKeyDMCYXCHIGCPJLB-YVNNLAQVSA-N
XLogP2.85
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352922
N-[(E)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-phenylacetamide
CID 6893285
2-chloro-N-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]benzamide
CID 6187957
N-[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
CID 3351053
4-amino-3,5,6-trichloro-N-[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 3952335
N'-[(2,3-dichlorophenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 3639145
N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
CID 5237010
N'-[(E)-(2,5-dimethyl-1H-pyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 135575952
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(4-chlorophenyl)acetamide
CID 7334401
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6070242
4-bromo-N-[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 3561771
N'-[(E)-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 18206227

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide (CID 27686221) is N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N\NC(=O)C(=O)NCc1ccco1.
What is the InChIKey of N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is DMCYXCHIGCPJLB-YVNNLAQVSA-N. The full InChI is InChI=1S/C18H15Cl2N5O3/c1-11-15(16(20)25(24-11)13-5-2-4-12(19)8-13)10-22-23-18(27)17(26)21-9-14-6-3-7-28-14/h2-8,10H,9H2,1H3,(H,21,26)(H,23,27)/b22-10-.
What are the key properties of N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide?
N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 420.26 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 27686221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).