1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione

C15H15N3O3 — CID 19585578

IUPAC1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione
SMILESCOc1cccc(Cn2cc(N3C(=O)CCC3=O)cn2)c1
InChIInChI=1S/C15H15N3O3/c1-21-13-4-2-3-11(7-13)9-17-10-12(8-16-17)18-14(19)5-6-15(18)20/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyNSZXMGVZSHLQEK-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.59
Rot. Bonds4

About 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione

1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione (PubChem CID 19585578) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione
PubChem CID19585578
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione
SMILESCOc1cccc(Cn2cc(N3C(=O)CCC3=O)cn2)c1
InChIInChI=1S/C15H15N3O3/c1-21-13-4-2-3-11(7-13)9-17-10-12(8-16-17)18-14(19)5-6-15(18)20/h2-4,7-8,10H,5-6,9H2,1H3
InChIKeyNSZXMGVZSHLQEK-UHFFFAOYSA-N
XLogP1.59
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione (CID 19585578) is 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione is COc1cccc(Cn2cc(N3C(=O)CCC3=O)cn2)c1.
What is the InChIKey of 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione?
The InChIKey is NSZXMGVZSHLQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-13-4-2-3-11(7-13)9-17-10-12(8-16-17)18-14(19)5-6-15(18)20/h2-4,7-8,10H,5-6,9H2,1H3.
What are the key properties of 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione?
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione has a molecular weight of 285.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 19585578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).