2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

C13H19IN4O2 — CID 171132699

IUPAC2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(C(=O)NCCC(=O)N1CCCC1)n1cc(I)cn1
InChIInChI=1S/C13H19IN4O2/c1-10(18-9-11(14)8-16-18)13(20)15-5-4-12(19)17-6-2-3-7-17/h8-10H,2-7H2,1H3,(H,15,20)
InChIKeyIHJJXVRVLNSKRG-UHFFFAOYSA-N
MW390.23 g/mol
LogP1.18
Rot. Bonds5

About 2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 171132699) has the molecular formula C13H19IN4O2 and a molecular weight of 390.23 g/mol. Its IUPAC name is 2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID171132699
Molecular FormulaC13H19IN4O2
Molecular Weight390.23 g/mol
Exact Mass390.06
IUPAC Name2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(C(=O)NCCC(=O)N1CCCC1)n1cc(I)cn1
InChIInChI=1S/C13H19IN4O2/c1-10(18-9-11(14)8-16-18)13(20)15-5-4-12(19)17-6-2-3-7-17/h8-10H,2-7H2,1H3,(H,15,20)
InChIKeyIHJJXVRVLNSKRG-UHFFFAOYSA-N
XLogP1.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (CID 171132699) is 2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is CC(C(=O)NCCC(=O)N1CCCC1)n1cc(I)cn1.
What is the InChIKey of 2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is IHJJXVRVLNSKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN4O2/c1-10(18-9-11(14)8-16-18)13(20)15-5-4-12(19)17-6-2-3-7-17/h8-10H,2-7H2,1H3,(H,15,20).
What are the key properties of 2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 390.23 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodopyrazol-1-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 171132699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).