[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate

C19H19N3O4 — CID 16619917

IUPAC[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate
SMILESCC(C)n1nccc1NC(=O)COC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C19H19N3O4/c1-13(2)22-16(8-10-20-22)21-17(23)12-26-19(24)18-15(9-11-25-18)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyGTJXYXMMQKEDIE-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.52
Rot. Bonds6

About [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate

[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate (PubChem CID 16619917) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate
PubChem CID16619917
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate
SMILESCC(C)n1nccc1NC(=O)COC(=O)c1occc1-c1ccccc1
InChIInChI=1S/C19H19N3O4/c1-13(2)22-16(8-10-20-22)21-17(23)12-26-19(24)18-15(9-11-25-18)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyGTJXYXMMQKEDIE-UHFFFAOYSA-N
XLogP3.52
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7625091
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-methylsulfonylbenzoate
CID 18083220
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] quinoline-2-carboxylate
CID 7813108
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 3-phenylfuran-2-carboxylate
CID 38904459
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate
CID 16619911
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 5-bromofuran-2-carboxylate
CID 18081951
2-(4-phenoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30187265
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3,4-difluorobenzoate
CID 18194519
2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-hydroxy-4-methylbenzoate
CID 16619928
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-nitrobenzoate
CID 7834994
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-fluoro-4-methylbenzoate
CID 18092403

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate?
The IUPAC name of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate (CID 16619917) is [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate is CC(C)n1nccc1NC(=O)COC(=O)c1occc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate?
The InChIKey is GTJXYXMMQKEDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-13(2)22-16(8-10-20-22)21-17(23)12-26-19(24)18-15(9-11-25-18)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,23).
What are the key properties of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate?
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-phenylfuran-2-carboxylate is sourced from PubChem (CID 16619917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).