2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide

C20H16N4O2 — CID 52914005

IUPAC2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide
SMILESCn1ccc(-c2ccc(NC(=O)C(=O)c3c[nH]c4ccccc34)cc2)n1
InChIInChI=1S/C20H16N4O2/c1-24-11-10-17(23-24)13-6-8-14(9-7-13)22-20(26)19(25)16-12-21-18-5-3-2-4-15(16)18/h2-12,21H,1H3,(H,22,26)
InChIKeyZLBMXRGALNHBBE-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.39
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide

2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide (PubChem CID 52914005) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide
PubChem CID52914005
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide
SMILESCn1ccc(-c2ccc(NC(=O)C(=O)c3c[nH]c4ccccc34)cc2)n1
InChIInChI=1S/C20H16N4O2/c1-24-11-10-17(23-24)13-6-8-14(9-7-13)22-20(26)19(25)16-12-21-18-5-3-2-4-15(16)18/h2-12,21H,1H3,(H,22,26)
InChIKeyZLBMXRGALNHBBE-UHFFFAOYSA-N
XLogP3.39
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide (CID 52914005) is 2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide is Cn1ccc(-c2ccc(NC(=O)C(=O)c3c[nH]c4ccccc34)cc2)n1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide?
The InChIKey is ZLBMXRGALNHBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-11-10-17(23-24)13-6-8-14(9-7-13)22-20(26)19(25)16-12-21-18-5-3-2-4-15(16)18/h2-12,21H,1H3,(H,22,26).
What are the key properties of 2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide?
2-(1H-indol-3-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide has a molecular weight of 344.37 g/mol, XLogP of 3.39, 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)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 52914005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).