N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C16H26N4O — CID 5309867

IUPACN-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NCCCN1CCCC1
InChIInChI=1S/C16H26N4O/c21-16(17-8-5-11-19-9-3-4-10-19)13-20-12-14-6-1-2-7-15(14)18-20/h12H,1-11,13H2,(H,17,21)
InChIKeyZIAXAFOUDVCKIQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.36
Rot. Bonds6

About N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309867) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309867
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NCCCN1CCCC1
InChIInChI=1S/C16H26N4O/c21-16(17-8-5-11-19-9-3-4-10-19)13-20-12-14-6-1-2-7-15(14)18-20/h12H,1-11,13H2,(H,17,21)
InChIKeyZIAXAFOUDVCKIQ-UHFFFAOYSA-N
XLogP1.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.36
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 N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309867) is N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCCC1.
What is the InChIKey of N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is ZIAXAFOUDVCKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c21-16(17-8-5-11-19-9-3-4-10-19)13-20-12-14-6-1-2-7-15(14)18-20/h12H,1-11,13H2,(H,17,21).
What are the key properties of N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).