1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione

C15H16N4O2 — CID 115319957

IUPAC1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione
SMILESNc1cnn(CCN2C(=O)CC(c3ccccc3)C2=O)c1
InChIInChI=1S/C15H16N4O2/c16-12-9-17-18(10-12)6-7-19-14(20)8-13(15(19)21)11-4-2-1-3-5-11/h1-5,9-10,13H,6-8,16H2
InChIKeyPUBJDOZSDHYHHR-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.01
Rot. Bonds4

About 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione

1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione (PubChem CID 115319957) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione
PubChem CID115319957
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione
SMILESNc1cnn(CCN2C(=O)CC(c3ccccc3)C2=O)c1
InChIInChI=1S/C15H16N4O2/c16-12-9-17-18(10-12)6-7-19-14(20)8-13(15(19)21)11-4-2-1-3-5-11/h1-5,9-10,13H,6-8,16H2
InChIKeyPUBJDOZSDHYHHR-UHFFFAOYSA-N
XLogP1.01
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.01
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 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione (CID 115319957) is 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione is Nc1cnn(CCN2C(=O)CC(c3ccccc3)C2=O)c1.
What is the InChIKey of 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is PUBJDOZSDHYHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-12-9-17-18(10-12)6-7-19-14(20)8-13(15(19)21)11-4-2-1-3-5-11/h1-5,9-10,13H,6-8,16H2.
What are the key properties of 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione?
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 284.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 115319957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).