(3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione

C9H12N4O2 — CID 98610737

IUPAC(3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NCCn2cccn2)C(=O)N1
InChIInChI=1S/C9H12N4O2/c14-8-6-7(9(15)12-8)10-3-5-13-4-1-2-11-13/h1-2,4,7,10H,3,5-6H2,(H,12,14,15)/t7-/m0/s1
InChIKeyKEADXOIMBDAHRI-ZETCQYMHSA-N
MW208.22 g/mol
LogP-1.11
Rot. Bonds4

About (3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione

(3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione (PubChem CID 98610737) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is (3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione
PubChem CID98610737
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name(3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NCCn2cccn2)C(=O)N1
InChIInChI=1S/C9H12N4O2/c14-8-6-7(9(15)12-8)10-3-5-13-4-1-2-11-13/h1-2,4,7,10H,3,5-6H2,(H,12,14,15)/t7-/m0/s1
InChIKeyKEADXOIMBDAHRI-ZETCQYMHSA-N
XLogP-1.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
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 (3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione (CID 98610737) is (3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione is O=C1C[C@H](NCCn2cccn2)C(=O)N1.
What is the InChIKey of (3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione?
The InChIKey is KEADXOIMBDAHRI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-8-6-7(9(15)12-8)10-3-5-13-4-1-2-11-13/h1-2,4,7,10H,3,5-6H2,(H,12,14,15)/t7-/m0/s1.
What are the key properties of (3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione?
(3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione has a molecular weight of 208.22 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 98610737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).