2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide

C19H14N4O2 — CID 44596891

IUPAC2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N4O2/c24-18(16-12-20-17-5-2-1-4-15(16)17)19(25)22-13-6-8-14(9-7-13)23-11-3-10-21-23/h1-12,20H,(H,22,25)
InChIKeyKDLXMNAZTZUJHK-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.17
Rot. Bonds4

About 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide

2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 44596891) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID44596891
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H14N4O2/c24-18(16-12-20-17-5-2-1-4-15(16)17)19(25)22-13-6-8-14(9-7-13)23-11-3-10-21-23/h1-12,20H,(H,22,25)
InChIKeyKDLXMNAZTZUJHK-UHFFFAOYSA-N
XLogP3.17
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide (CID 44596891) is 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide is O=C(Nc1ccc(-n2cccn2)cc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is KDLXMNAZTZUJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-18(16-12-20-17-5-2-1-4-15(16)17)19(25)22-13-6-8-14(9-7-13)23-11-3-10-21-23/h1-12,20H,(H,22,25).
What are the key properties of 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide?
2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 330.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 44596891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).