[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate

C18H17N3O4 — CID 8552464

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
SMILESCc1ccnn1-c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H17N3O4/c1-13-8-9-20-21(13)15-6-4-14(5-7-15)18(23)25-12-17(22)19-11-16-3-2-10-24-16/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyJREJUBSQEYLHMP-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.25
Rot. Bonds6

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate (PubChem CID 8552464) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
PubChem CID8552464
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
SMILESCc1ccnn1-c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H17N3O4/c1-13-8-9-20-21(13)15-6-4-14(5-7-15)18(23)25-12-17(22)19-11-16-3-2-10-24-16/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyJREJUBSQEYLHMP-UHFFFAOYSA-N
XLogP2.25
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8553069
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2428192
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8552225
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8643990
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 8554472
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2352929
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 2425711
N-(furan-2-ylmethyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
CID 121086734
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate
CID 2358193
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2355514

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate (CID 8552464) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate is Cc1ccnn1-c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate?
The InChIKey is JREJUBSQEYLHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-13-8-9-20-21(13)15-6-4-14(5-7-15)18(23)25-12-17(22)19-11-16-3-2-10-24-16/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate has a molecular weight of 339.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate is sourced from PubChem (CID 8552464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).