(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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Related Compounds

(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 98234962
6-amino-5-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-1H-pyrimidine-2,4-dione
CID 134838028
(3S)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione
CID 95391005
(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(3,4-difluorophenyl)pyrrolidine-2,5-dione
CID 98234939
3-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-2,5-dioxopyrrolidin-1-yl]-4-methoxybenzoic acid
CID 52996793
3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 56762027
(3R)-3-(5-amino-3-methyl-1-pyridin-2-ylpyrazol-4-yl)-1-(2,6-difluorophenyl)pyrrolidine-2,5-dione
CID 98234503
3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione
CID 17121690
3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione
CID 102804739
3-(2-hydroxynaphthalen-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 162403351
1-(4-fluorophenyl)-3-(2-methyl-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 18833654
(3aS,7aR)-6-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-7-methyl-2-phenyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione
CID 7801179

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).