N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide

C13H13ClN4O2 — CID 5420957

IUPACN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
SMILESC/C(=N/NC(=O)Cc1cc(=O)[nH][nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O2/c1-8(9-2-4-10(14)5-3-9)15-17-12(19)6-11-7-13(20)18-16-11/h2-5,7H,6H2,1H3,(H,17,19)(H2,16,18,20)/b15-8-
InChIKeyIFBIIPWEBXUFSU-NVNXTCNLSA-N
MW292.73 g/mol
LogP1.44
Rot. Bonds4

About N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide (PubChem CID 5420957) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
PubChem CID5420957
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
SMILESC/C(=N/NC(=O)Cc1cc(=O)[nH][nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN4O2/c1-8(9-2-4-10(14)5-3-9)15-17-12(19)6-11-7-13(20)18-16-11/h2-5,7H,6H2,1H3,(H,17,19)(H2,16,18,20)/b15-8-
InChIKeyIFBIIPWEBXUFSU-NVNXTCNLSA-N
XLogP1.44
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4-Chlorophenyl)-2,3-dihydropyridazin-3-one
CID 689085
N'-[(1E)-1-(3,4-dichlorophenyl)ethylidene]-2-(5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetohydrazide
CID 9663867
N'-[(1E)-(2,6-dichlorophenyl)methylene]-2-(5-hydroxy-1H-pyrazol-3-yl)acetohydrazide
CID 6867421
6-(4-Chlorobenzyl)-3-pyridazinol
CID 1482949
N'-[(E)-(2-chlorophenyl)methylidene]-2-(5-hydroxy-1H-pyrazol-3-yl)acetohydrazide
CID 6885474
N'-[(E)-(2-Chloro-6-fluorophenyl)methylidene]-2-(5-hydroxy-1H-pyrazol-3-YL)acetohydrazide
CID 46496569
N-[(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 2818544
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methyl-5-oxo-1H-pyrazole-3-carboxamide
CID 5715319
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 5083169
3-(4-chloro-3-fluorophenyl)-5-[1-(methylamino)ethenyl]-1H-pyridazin-6-one
CID 145407253
3-(4-chlorophenyl)-5-methyl-1H-pyridazin-6-one
CID 11816885
N'-[1-(4-Chlorophenyl)ethylidene]acetohydrazide
CID 9650391

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide (CID 5420957) is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is C/C(=N/NC(=O)Cc1cc(=O)[nH][nH]1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
The InChIKey is IFBIIPWEBXUFSU-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-8(9-2-4-10(14)5-3-9)15-17-12(19)6-11-7-13(20)18-16-11/h2-5,7H,6H2,1H3,(H,17,19)(H2,16,18,20)/b15-8-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide?
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide has a molecular weight of 292.73 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide is sourced from PubChem (CID 5420957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).