[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate

C23H21N3O4 — CID 9382212

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
SMILESCc1ccnn1-c1ccc(C(=O)OCC(=O)c2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C23H21N3O4/c1-16-11-12-24-26(16)19-9-7-17(8-10-19)23(29)30-15-21(27)18-4-2-5-20(14-18)25-13-3-6-22(25)28/h2,4-5,7-12,14H,3,6,13,15H2,1H3
InChIKeyXPRBMWJMCNKDAH-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.35
Rot. Bonds6

About [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate (PubChem CID 9382212) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
PubChem CID9382212
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
SMILESCc1ccnn1-c1ccc(C(=O)OCC(=O)c2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C23H21N3O4/c1-16-11-12-24-26(16)19-9-7-17(8-10-19)23(29)30-15-21(27)18-4-2-5-20(14-18)25-13-3-6-22(25)28/h2,4-5,7-12,14H,3,6,13,15H2,1H3
InChIKeyXPRBMWJMCNKDAH-UHFFFAOYSA-N
XLogP3.35
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 36708103
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727594
[2-(3-fluorophenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8678174
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8552909
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8953376
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate
CID 8738366
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate
CID 8995399
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728933

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate (CID 9382212) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate is Cc1ccnn1-c1ccc(C(=O)OCC(=O)c2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate?
The InChIKey is XPRBMWJMCNKDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-16-11-12-24-26(16)19-9-7-17(8-10-19)23(29)30-15-21(27)18-4-2-5-20(14-18)25-13-3-6-22(25)28/h2,4-5,7-12,14H,3,6,13,15H2,1H3.
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate has a molecular weight of 403.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate is sourced from PubChem (CID 9382212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).