3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione

C16H17N3O2 — CID 3800305

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione
SMILESCc1cc(C)n(CC2CC(=O)N(c3ccccc3)C2=O)n1
InChIInChI=1S/C16H17N3O2/c1-11-8-12(2)18(17-11)10-13-9-15(20)19(16(13)21)14-6-4-3-5-7-14/h3-8,13H,9-10H2,1-2H3
InChIKeyMYZAZRAZIPGNJD-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.08
Rot. Bonds3

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione

3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 3800305) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione
PubChem CID3800305
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione
SMILESCc1cc(C)n(CC2CC(=O)N(c3ccccc3)C2=O)n1
InChIInChI=1S/C16H17N3O2/c1-11-8-12(2)18(17-11)10-13-9-15(20)19(16(13)21)14-6-4-3-5-7-14/h3-8,13H,9-10H2,1-2H3
InChIKeyMYZAZRAZIPGNJD-UHFFFAOYSA-N
XLogP2.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione (CID 3800305) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione is Cc1cc(C)n(CC2CC(=O)N(c3ccccc3)C2=O)n1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is MYZAZRAZIPGNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-8-12(2)18(17-11)10-13-9-15(20)19(16(13)21)14-6-4-3-5-7-14/h3-8,13H,9-10H2,1-2H3.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 283.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 3800305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).