2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide

C13H14N4O3 — CID 118723775

IUPAC2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCC(=O)NC(C(=O)NO)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H14N4O3/c1-9(18)15-12(13(19)16-20)10-3-5-11(6-4-10)17-8-2-7-14-17/h2-8,12,20H,1H3,(H,15,18)(H,16,19)
InChIKeyMYWRQDNAPJWUSO-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.55
Rot. Bonds4

About 2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide

2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 118723775) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID118723775
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCC(=O)NC(C(=O)NO)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H14N4O3/c1-9(18)15-12(13(19)16-20)10-3-5-11(6-4-10)17-8-2-7-14-17/h2-8,12,20H,1H3,(H,15,18)(H,16,19)
InChIKeyMYWRQDNAPJWUSO-UHFFFAOYSA-N
XLogP0.55
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide (CID 118723775) is 2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide is CC(=O)NC(C(=O)NO)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is MYWRQDNAPJWUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9(18)15-12(13(19)16-20)10-3-5-11(6-4-10)17-8-2-7-14-17/h2-8,12,20H,1H3,(H,15,18)(H,16,19).
What are the key properties of 2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide?
2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 118723775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).