(3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione

C15H16N4O2 — CID 95391546

IUPAC(3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione
SMILESCc1nn(C)c(N)c1[C@@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H16N4O2/c1-9-13(14(16)18(2)17-9)11-8-12(20)19(15(11)21)10-6-4-3-5-7-10/h3-7,11H,8,16H2,1-2H3/t11-/m0/s1
InChIKeyPOSQLGIPRBQONG-NSHDSACASA-N
MW284.32 g/mol
LogP1.36
Rot. Bonds2

About (3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione

(3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 95391546) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione
PubChem CID95391546
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione
SMILESCc1nn(C)c(N)c1[C@@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H16N4O2/c1-9-13(14(16)18(2)17-9)11-8-12(20)19(15(11)21)10-6-4-3-5-7-10/h3-7,11H,8,16H2,1-2H3/t11-/m0/s1
InChIKeyPOSQLGIPRBQONG-NSHDSACASA-N
XLogP1.36
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.36
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 (3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione (CID 95391546) is (3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione is Cc1nn(C)c(N)c1[C@@H]1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is POSQLGIPRBQONG-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-13(14(16)18(2)17-9)11-8-12(20)19(15(11)21)10-6-4-3-5-7-10/h3-7,11H,8,16H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione?
(3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 284.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-amino-1,3-dimethylpyrazol-4-yl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 95391546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).