3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide

C10H12N4O3 — CID 43429647

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1cn[nH]c1
InChIInChI=1S/C10H12N4O3/c15-8(13-7-5-11-12-6-7)3-4-14-9(16)1-2-10(14)17/h5-6H,1-4H2,(H,11,12)(H,13,15)
InChIKeyASHSRRMNMVBXEA-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.11
Rot. Bonds4

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 43429647) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide
PubChem CID43429647
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1cn[nH]c1
InChIInChI=1S/C10H12N4O3/c15-8(13-7-5-11-12-6-7)3-4-14-9(16)1-2-10(14)17/h5-6H,1-4H2,(H,11,12)(H,13,15)
InChIKeyASHSRRMNMVBXEA-UHFFFAOYSA-N
XLogP-0.11
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide 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 3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide (CID 43429647) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide is O=C(CCN1C(=O)CCC1=O)Nc1cn[nH]c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is ASHSRRMNMVBXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-8(13-7-5-11-12-6-7)3-4-14-9(16)1-2-10(14)17/h5-6H,1-4H2,(H,11,12)(H,13,15).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 236.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 43429647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).