5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide

C17H22N4O — CID 75272192

IUPAC5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide
SMILESO=C(NCCCn1cccc1)C1CC(c2ccccc2)NN1
InChIInChI=1S/C17H22N4O/c22-17(18-9-6-12-21-10-4-5-11-21)16-13-15(19-20-16)14-7-2-1-3-8-14/h1-5,7-8,10-11,15-16,19-20H,6,9,12-13H2,(H,18,22)
InChIKeyUBMFRUKHEBPRJU-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.60
Rot. Bonds6

About 5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide

5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide (PubChem CID 75272192) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide
PubChem CID75272192
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide
SMILESO=C(NCCCn1cccc1)C1CC(c2ccccc2)NN1
InChIInChI=1S/C17H22N4O/c22-17(18-9-6-12-21-10-4-5-11-21)16-13-15(19-20-16)14-7-2-1-3-8-14/h1-5,7-8,10-11,15-16,19-20H,6,9,12-13H2,(H,18,22)
InChIKeyUBMFRUKHEBPRJU-UHFFFAOYSA-N
XLogP1.60
TPSA58.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide 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 5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide (CID 75272192) is 5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide is O=C(NCCCn1cccc1)C1CC(c2ccccc2)NN1.
What is the InChIKey of 5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide?
The InChIKey is UBMFRUKHEBPRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(18-9-6-12-21-10-4-5-11-21)16-13-15(19-20-16)14-7-2-1-3-8-14/h1-5,7-8,10-11,15-16,19-20H,6,9,12-13H2,(H,18,22).
What are the key properties of 5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide?
5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75272192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).