N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide

C11H11N3O2 — CID 788029

IUPACN-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C11H11N3O2/c1-8(15)12-10-7-11(16)14(13-10)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,15)
InChIKeyBSNHWIKRKKJFPZ-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.87
Rot. Bonds1

About N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide

N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide (PubChem CID 788029) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
PubChem CID788029
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C11H11N3O2/c1-8(15)12-10-7-11(16)14(13-10)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,15)
InChIKeyBSNHWIKRKKJFPZ-UHFFFAOYSA-N
XLogP0.87
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The IUPAC name of N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide (CID 788029) is N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide is CC(=O)NC1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The InChIKey is BSNHWIKRKKJFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8(15)12-10-7-11(16)14(13-10)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,12,13,15).
What are the key properties of N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide has a molecular weight of 217.23 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 788029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).