3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione

C9H11N3O2 — CID 61037056

IUPAC3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2cn[nH]c2)C1=O
InChIInChI=1S/C9H11N3O2/c1-6-2-8(13)12(9(6)14)5-7-3-10-11-4-7/h3-4,6H,2,5H2,1H3,(H,10,11)
InChIKeyMNNOZDOBWUDMLB-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.30
Rot. Bonds2

About 3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione

3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 61037056) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione
PubChem CID61037056
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2cn[nH]c2)C1=O
InChIInChI=1S/C9H11N3O2/c1-6-2-8(13)12(9(6)14)5-7-3-10-11-4-7/h3-4,6H,2,5H2,1H3,(H,10,11)
InChIKeyMNNOZDOBWUDMLB-UHFFFAOYSA-N
XLogP0.30
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.30
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-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione (CID 61037056) is 3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione is CC1CC(=O)N(Cc2cn[nH]c2)C1=O.
What is the InChIKey of 3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is MNNOZDOBWUDMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-2-8(13)12(9(6)14)5-7-3-10-11-4-7/h3-4,6H,2,5H2,1H3,(H,10,11).
What are the key properties of 3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione?
3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 193.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 61037056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).