3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione

C11H15N3O2 — CID 65298014

IUPAC3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1[nH]ncc1CN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H15N3O2/c1-7-8(5-12-13-7)6-14-9(15)4-11(2,3)10(14)16/h5H,4,6H2,1-3H3,(H,12,13)
InChIKeyXGSRHTIEMMQXLG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.00
Rot. Bonds2

About 3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione

3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 65298014) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
PubChem CID65298014
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
SMILESCc1[nH]ncc1CN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H15N3O2/c1-7-8(5-12-13-7)6-14-9(15)4-11(2,3)10(14)16/h5H,4,6H2,1-3H3,(H,12,13)
InChIKeyXGSRHTIEMMQXLG-UHFFFAOYSA-N
XLogP1.00
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione (CID 65298014) is 3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione is Cc1[nH]ncc1CN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is XGSRHTIEMMQXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-8(5-12-13-7)6-14-9(15)4-11(2,3)10(14)16/h5H,4,6H2,1-3H3,(H,12,13).
What are the key properties of 3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione?
3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 221.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 65298014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).