2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide

C15H19N5O2 — CID 60525175

IUPAC2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CO/N=C(/N)c2cnn(C)c2)cc1
InChIInChI=1S/C15H19N5O2/c1-3-11-4-6-13(7-5-11)18-14(21)10-22-19-15(16)12-8-17-20(2)9-12/h4-9H,3,10H2,1-2H3,(H2,16,19)(H,18,21)
InChIKeyPIHCOZYPYJLUAS-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.26
Rot. Bonds6

About 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide

2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide (PubChem CID 60525175) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
PubChem CID60525175
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CO/N=C(/N)c2cnn(C)c2)cc1
InChIInChI=1S/C15H19N5O2/c1-3-11-4-6-13(7-5-11)18-14(21)10-22-19-15(16)12-8-17-20(2)9-12/h4-9H,3,10H2,1-2H3,(H2,16,19)(H,18,21)
InChIKeyPIHCOZYPYJLUAS-UHFFFAOYSA-N
XLogP1.26
TPSA94.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide
CID 60524992
2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 51961196
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide
CID 18292830
2-[(E)-(1-amino-3-morpholin-4-ylpropylidene)amino]oxy-N-(4-ethylphenyl)acetamide
CID 47084533
N-(1-adamantyl)-2-[[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxyacetamide
CID 75134257
2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethanone
CID 65195914
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718
butyl 4-[[2-[[amino(phenyl)methylidene]amino]oxyacetyl]amino]benzoate
CID 74267716
N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 64794504
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide
CID 76889487
3-amino-N-(2-chlorophenyl)-3-[2-(4-ethylanilino)-2-oxoethoxy]iminopropanamide
CID 78766823
1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
CID 106909878

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide (CID 60525175) is 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CO/N=C(/N)c2cnn(C)c2)cc1.
What is the InChIKey of 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide?
The InChIKey is PIHCOZYPYJLUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-11-4-6-13(7-5-11)18-14(21)10-22-19-15(16)12-8-17-20(2)9-12/h4-9H,3,10H2,1-2H3,(H2,16,19)(H,18,21).
What are the key properties of 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide?
2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 60525175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).