2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione

C24H23N3O5 — CID 3346570

IUPAC2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCOc1ccc(C2(C(=O)N3CCCN3C(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1
InChIInChI=1S/C24H23N3O5/c1-32-17-9-7-16(8-10-17)24(11-12-24)23(31)27-14-4-13-26(27)20(28)15-25-21(29)18-5-2-3-6-19(18)22(25)30/h2-3,5-10H,4,11-15H2,1H3
InChIKeyVOTBOTVMYJIZRL-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.00
Rot. Bonds5

About 2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione

2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 3346570) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID3346570
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESCOc1ccc(C2(C(=O)N3CCCN3C(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1
InChIInChI=1S/C24H23N3O5/c1-32-17-9-7-16(8-10-17)24(11-12-24)23(31)27-14-4-13-26(27)20(28)15-25-21(29)18-5-2-3-6-19(18)22(25)30/h2-3,5-10H,4,11-15H2,1H3
InChIKeyVOTBOTVMYJIZRL-UHFFFAOYSA-N
XLogP2.00
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.00
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 2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 3346570) is 2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is COc1ccc(C2(C(=O)N3CCCN3C(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1.
What is the InChIKey of 2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is VOTBOTVMYJIZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-32-17-9-7-16(8-10-17)24(11-12-24)23(31)27-14-4-13-26(27)20(28)15-25-21(29)18-5-2-3-6-19(18)22(25)30/h2-3,5-10H,4,11-15H2,1H3.
What are the key properties of 2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 433.46 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 3346570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).