3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione

C12H19N5O2 — CID 66011176

IUPAC3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCC(C)c1nn(C)c(NC2CC(=O)N(C)C2=O)c1N
InChIInChI=1S/C12H19N5O2/c1-6(2)10-9(13)11(17(4)15-10)14-7-5-8(18)16(3)12(7)19/h6-7,14H,5,13H2,1-4H3
InChIKeyXGZUFWXMPCKAHH-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.29
Rot. Bonds3

About 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione

3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 66011176) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID66011176
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCC(C)c1nn(C)c(NC2CC(=O)N(C)C2=O)c1N
InChIInChI=1S/C12H19N5O2/c1-6(2)10-9(13)11(17(4)15-10)14-7-5-8(18)16(3)12(7)19/h6-7,14H,5,13H2,1-4H3
InChIKeyXGZUFWXMPCKAHH-UHFFFAOYSA-N
XLogP0.29
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione (CID 66011176) is 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione is CC(C)c1nn(C)c(NC2CC(=O)N(C)C2=O)c1N.
What is the InChIKey of 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is XGZUFWXMPCKAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-6(2)10-9(13)11(17(4)15-10)14-7-5-8(18)16(3)12(7)19/h6-7,14H,5,13H2,1-4H3.
What are the key properties of 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 265.32 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 66011176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).