2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C17H26N4O2 — CID 5307336

IUPAC2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCC1CCc2nn(CC(=O)NCCCN3CCCC3=O)cc2C1
InChIInChI=1S/C17H26N4O2/c1-13-5-6-15-14(10-13)11-21(19-15)12-16(22)18-7-3-9-20-8-2-4-17(20)23/h11,13H,2-10,12H2,1H3,(H,18,22)
InChIKeyZPQCAVFJNQLWGI-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.14
Rot. Bonds6

About 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 5307336) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID5307336
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCC1CCc2nn(CC(=O)NCCCN3CCCC3=O)cc2C1
InChIInChI=1S/C17H26N4O2/c1-13-5-6-15-14(10-13)11-21(19-15)12-16(22)18-7-3-9-20-8-2-4-17(20)23/h11,13H,2-10,12H2,1H3,(H,18,22)
InChIKeyZPQCAVFJNQLWGI-UHFFFAOYSA-N
XLogP1.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 5307336) is 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is CC1CCc2nn(CC(=O)NCCCN3CCCC3=O)cc2C1.
What is the InChIKey of 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is ZPQCAVFJNQLWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-5-6-15-14(10-13)11-21(19-15)12-16(22)18-7-3-9-20-8-2-4-17(20)23/h11,13H,2-10,12H2,1H3,(H,18,22).
What are the key properties of 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 5307336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).