[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate

C21H17FN4O4 — CID 7842164

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCNC1=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H17FN4O4/c22-15-8-6-14(7-9-15)19-17(12-26(24-19)16-4-2-1-3-5-16)20(28)30-13-18(27)25-11-10-23-21(25)29/h1-9,12H,10-11,13H2,(H,23,29)
InChIKeyYCFAJWFGUSAZEI-UHFFFAOYSA-N
MW408.39 g/mol
LogP2.39
Rot. Bonds5

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 7842164) has the molecular formula C21H17FN4O4 and a molecular weight of 408.39 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID7842164
Molecular FormulaC21H17FN4O4
Molecular Weight408.39 g/mol
Exact Mass408.12
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCNC1=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H17FN4O4/c22-15-8-6-14(7-9-15)19-17(12-26(24-19)16-4-2-1-3-5-16)20(28)30-13-18(27)25-11-10-23-21(25)29/h1-9,12H,10-11,13H2,(H,23,29)
InChIKeyYCFAJWFGUSAZEI-UHFFFAOYSA-N
XLogP2.39
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate (CID 7842164) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate is O=C(OCC(=O)N1CCNC1=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is YCFAJWFGUSAZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O4/c22-15-8-6-14(7-9-15)19-17(12-26(24-19)16-4-2-1-3-5-16)20(28)30-13-18(27)25-11-10-23-21(25)29/h1-9,12H,10-11,13H2,(H,23,29).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 408.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 7842164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).