3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione

C15H16N4O2 — CID 82873070

IUPAC3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESCn1ccc(CNC2CC(=O)N(c3ccccc3)C2=O)n1
InChIInChI=1S/C15H16N4O2/c1-18-8-7-11(17-18)10-16-13-9-14(20)19(15(13)21)12-5-3-2-4-6-12/h2-8,13,16H,9-10H2,1H3
InChIKeyBRHCWXYMHARNCD-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.84
Rot. Bonds4

About 3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione

3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 82873070) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione
PubChem CID82873070
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione
SMILESCn1ccc(CNC2CC(=O)N(c3ccccc3)C2=O)n1
InChIInChI=1S/C15H16N4O2/c1-18-8-7-11(17-18)10-16-13-9-14(20)19(15(13)21)12-5-3-2-4-6-12/h2-8,13,16H,9-10H2,1H3
InChIKeyBRHCWXYMHARNCD-UHFFFAOYSA-N
XLogP0.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione
CID 82882121
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411
1-phenyl-3-(propylamino)pyrrolidine-2,5-dione;hydrochloride
CID 53440488
3-(2-imidazol-1-ylethylamino)-1-phenylpyrrolidine-2,5-dione
CID 61325731
3-(benzylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2890402
1-phenyl-3-(2-pyrazol-1-ylethylamino)pyrrolidine-2,5-dione
CID 61459850
3-[2-(diethylamino)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 3135049
3-(2-aminoethylamino)-1-phenylpyrrolidine-2,5-dione
CID 43637577
(3R)-3-[(3-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 1311152
3-[(1,3-dimethylpyrazol-4-yl)amino]-1-phenylpyrrolidine-2,5-dione
CID 102804739
3-[[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]amino]propanoic acid
CID 51602829

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione (CID 82873070) is 3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione is Cn1ccc(CNC2CC(=O)N(c3ccccc3)C2=O)n1.
What is the InChIKey of 3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is BRHCWXYMHARNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-18-8-7-11(17-18)10-16-13-9-14(20)19(15(13)21)12-5-3-2-4-6-12/h2-8,13,16H,9-10H2,1H3.
What are the key properties of 3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione?
3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 284.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 82873070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).