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

C19H26N4O3 — CID 71808404

IUPACN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C19H26N4O3/c24-17(12-22-18(25)9-10-19(22)26)20-11-15-14-7-3-4-8-16(14)23(21-15)13-5-1-2-6-13/h13H,1-12H2,(H,20,24)
InChIKeyVFFUQSKABXTCQL-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.64
Rot. Bonds5

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

N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 71808404) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID71808404
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C19H26N4O3/c24-17(12-22-18(25)9-10-19(22)26)20-11-15-14-7-3-4-8-16(14)23(21-15)13-5-1-2-6-13/h13H,1-12H2,(H,20,24)
InChIKeyVFFUQSKABXTCQL-UHFFFAOYSA-N
XLogP1.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 71808404) is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)NCc1nn(C2CCCC2)c2c1CCCC2.
What is the InChIKey of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is VFFUQSKABXTCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-17(12-22-18(25)9-10-19(22)26)20-11-15-14-7-3-4-8-16(14)23(21-15)13-5-1-2-6-13/h13H,1-12H2,(H,20,24).
What are the key properties of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 71808404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).