[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate

C23H20F3N5O4 — CID 31213264

IUPAC[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCc1c(C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H20F3N5O4/c1-14-16(12-28-31(14)19-9-8-15(11-27-19)23(24,25)26)22(34)35-13-20(32)29-17-5-2-3-6-18(17)30-10-4-7-21(30)33/h2-3,5-6,8-9,11-12H,4,7,10,13H2,1H3,(H,29,32)
InChIKeyFLQWTDRYWCRNGR-UHFFFAOYSA-N
MW487.44 g/mol
LogP3.52
Rot. Bonds6

About [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate (PubChem CID 31213264) has the molecular formula C23H20F3N5O4 and a molecular weight of 487.44 g/mol. Its IUPAC name is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
PubChem CID31213264
Molecular FormulaC23H20F3N5O4
Molecular Weight487.44 g/mol
Exact Mass487.15
IUPAC Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCc1c(C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H20F3N5O4/c1-14-16(12-28-31(14)19-9-8-15(11-27-19)23(24,25)26)22(34)35-13-20(32)29-17-5-2-3-6-18(17)30-10-4-7-21(30)33/h2-3,5-6,8-9,11-12H,4,7,10,13H2,1H3,(H,29,32)
InChIKeyFLQWTDRYWCRNGR-UHFFFAOYSA-N
XLogP3.52
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 41460141
[2-(carbamoylamino)-2-oxoethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 31211449
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 31212890
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 55510489
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-chloropyridine-3-carboxylate
CID 41175485
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 46669929
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 36708103
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3,4-dimethylbenzoate
CID 55467953
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 46545328
[2-(4-methylanilino)-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131156
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641236

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate (CID 31213264) is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate is Cc1c(C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The InChIKey is FLQWTDRYWCRNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O4/c1-14-16(12-28-31(14)19-9-8-15(11-27-19)23(24,25)26)22(34)35-13-20(32)29-17-5-2-3-6-18(17)30-10-4-7-21(30)33/h2-3,5-6,8-9,11-12H,4,7,10,13H2,1H3,(H,29,32).
What are the key properties of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate has a molecular weight of 487.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate is sourced from PubChem (CID 31213264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).