3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione

C9H13N5O2 — CID 103078644

IUPAC3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2nn(C)cc2N)C1=O
InChIInChI=1S/C9H13N5O2/c1-13-4-5(10)8(12-13)11-6-3-7(15)14(2)9(6)16/h4,6H,3,10H2,1-2H3,(H,11,12)
InChIKeyPBNHKBGCNANXIB-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.83
Rot. Bonds2

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

3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 103078644) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID103078644
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2nn(C)cc2N)C1=O
InChIInChI=1S/C9H13N5O2/c1-13-4-5(10)8(12-13)11-6-3-7(15)14(2)9(6)16/h4,6H,3,10H2,1-2H3,(H,11,12)
InChIKeyPBNHKBGCNANXIB-UHFFFAOYSA-N
XLogP-0.83
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.83
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-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione (CID 103078644) is 3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(Nc2nn(C)cc2N)C1=O.
What is the InChIKey of 3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is PBNHKBGCNANXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-13-4-5(10)8(12-13)11-6-3-7(15)14(2)9(6)16/h4,6H,3,10H2,1-2H3,(H,11,12).
What are the key properties of 3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 223.24 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 103078644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).