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

C14H13N3O2 — CID 60976711

IUPAC3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1Cc1cn[nH]c1
InChIInChI=1S/C14H13N3O2/c18-13-6-12(11-4-2-1-3-5-11)14(19)17(13)9-10-7-15-16-8-10/h1-5,7-8,12H,6,9H2,(H,15,16)
InChIKeyNIVVBOKQZCVGBZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.45
Rot. Bonds3

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

3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 60976711) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione
PubChem CID60976711
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1Cc1cn[nH]c1
InChIInChI=1S/C14H13N3O2/c18-13-6-12(11-4-2-1-3-5-11)14(19)17(13)9-10-7-15-16-8-10/h1-5,7-8,12H,6,9H2,(H,15,16)
InChIKeyNIVVBOKQZCVGBZ-UHFFFAOYSA-N
XLogP1.45
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.45
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-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione (CID 60976711) is 3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione is O=C1CC(c2ccccc2)C(=O)N1Cc1cn[nH]c1.
What is the InChIKey of 3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is NIVVBOKQZCVGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-13-6-12(11-4-2-1-3-5-11)14(19)17(13)9-10-7-15-16-8-10/h1-5,7-8,12H,6,9H2,(H,15,16).
What are the key properties of 3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione?
3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 255.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 60976711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).