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

C14H17N5O2 — CID 60524992

IUPAC2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C(/N)c2cnn(C)c2)cc1
InChIInChI=1S/C14H17N5O2/c1-10-3-5-12(6-4-10)17-13(20)9-21-18-14(15)11-7-16-19(2)8-11/h3-8H,9H2,1-2H3,(H2,15,18)(H,17,20)
InChIKeySNCPXEGUPDLGAC-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.00
Rot. Bonds5

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

2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide (PubChem CID 60524992) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide
PubChem CID60524992
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CO/N=C(/N)c2cnn(C)c2)cc1
InChIInChI=1S/C14H17N5O2/c1-10-3-5-12(6-4-10)17-13(20)9-21-18-14(15)11-7-16-19(2)8-11/h3-8H,9H2,1-2H3,(H2,15,18)(H,17,20)
InChIKeySNCPXEGUPDLGAC-UHFFFAOYSA-N
XLogP1.00
TPSA94.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.00
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide (CID 60524992) is 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide is Cc1ccc(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-methylphenyl)acetamide?
The InChIKey is SNCPXEGUPDLGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-3-5-12(6-4-10)17-13(20)9-21-18-14(15)11-7-16-19(2)8-11/h3-8H,9H2,1-2H3,(H2,15,18)(H,17,20).
What are the key properties of 2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide?
2-[(E)-[amino-(1-methylpyrazol-4-yl)methylidene]amino]oxy-N-(4-methylphenyl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 1.00, 5 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-methylphenyl)acetamide is sourced from PubChem (CID 60524992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).