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

C14H14N4O2 — CID 61240020

IUPAC3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccc(-c3ccn[nH]3)cc2)C(=O)N1
InChIInChI=1S/C14H14N4O2/c19-13-7-12(14(20)17-13)15-8-9-1-3-10(4-2-9)11-5-6-16-18-11/h1-6,12,15H,7-8H2,(H,16,18)(H,17,19,20)
InChIKeyLILCJEFUROFMFT-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.58
Rot. Bonds4

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

3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione (PubChem CID 61240020) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione
PubChem CID61240020
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccc(-c3ccn[nH]3)cc2)C(=O)N1
InChIInChI=1S/C14H14N4O2/c19-13-7-12(14(20)17-13)15-8-9-1-3-10(4-2-9)11-5-6-16-18-11/h1-6,12,15H,7-8H2,(H,16,18)(H,17,19,20)
InChIKeyLILCJEFUROFMFT-UHFFFAOYSA-N
XLogP0.58
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.58
H-Bond Donors ≤ 53
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-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione (CID 61240020) is 3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione is O=C1CC(NCc2ccc(-c3ccn[nH]3)cc2)C(=O)N1.
What is the InChIKey of 3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione?
The InChIKey is LILCJEFUROFMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-13-7-12(14(20)17-13)15-8-9-1-3-10(4-2-9)11-5-6-16-18-11/h1-6,12,15H,7-8H2,(H,16,18)(H,17,19,20).
What are the key properties of 3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione?
3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione has a molecular weight of 270.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 61240020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).