N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide

C11H11N3O4 — CID 15413208

IUPACN-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)C(=O)C1(O)O
InChIInChI=1S/C11H11N3O4/c1-7(15)12-9-11(17,18)10(16)14(13-9)8-5-3-2-4-6-8/h2-6,17-18H,1H3,(H,12,13,15)
InChIKeyKWLKQTWSFNVYAO-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.84
Rot. Bonds1

About N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide

N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide (PubChem CID 15413208) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide
PubChem CID15413208
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC NameN-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide
SMILESCC(=O)NC1=NN(c2ccccc2)C(=O)C1(O)O
InChIInChI=1S/C11H11N3O4/c1-7(15)12-9-11(17,18)10(16)14(13-9)8-5-3-2-4-6-8/h2-6,17-18H,1H3,(H,12,13,15)
InChIKeyKWLKQTWSFNVYAO-UHFFFAOYSA-N
XLogP-0.84
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide?
The IUPAC name of N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide (CID 15413208) is N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide is CC(=O)NC1=NN(c2ccccc2)C(=O)C1(O)O.
What is the InChIKey of N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide?
The InChIKey is KWLKQTWSFNVYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-7(15)12-9-11(17,18)10(16)14(13-9)8-5-3-2-4-6-8/h2-6,17-18H,1H3,(H,12,13,15).
What are the key properties of N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide?
N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide has a molecular weight of 249.23 g/mol, XLogP of -0.84, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 15413208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).