N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide

C18H22N4O2 — CID 122141182

IUPACN-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)NCCNc3cc(C)nn3C)c2c1
InChIInChI=1S/C18H22N4O2/c1-4-13-5-6-16-14(10-13)15(11-24-16)18(23)20-8-7-19-17-9-12(2)21-22(17)3/h5-6,9-11,19H,4,7-8H2,1-3H3,(H,20,23)
InChIKeyXUWSTLLHUGUNAI-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.88
Rot. Bonds6

About N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide

N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide (PubChem CID 122141182) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide
PubChem CID122141182
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)NCCNc3cc(C)nn3C)c2c1
InChIInChI=1S/C18H22N4O2/c1-4-13-5-6-16-14(10-13)15(11-24-16)18(23)20-8-7-19-17-9-12(2)21-22(17)3/h5-6,9-11,19H,4,7-8H2,1-3H3,(H,20,23)
InChIKeyXUWSTLLHUGUNAI-UHFFFAOYSA-N
XLogP2.88
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide
CID 126841948
5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 100653314
5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide
CID 122158461
6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide
CID 70768616
N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylanilino)acetamide
CID 86913432
5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide
CID 136541811
5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
CID 125144255
5-ethyl-N-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
CID 125144254
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
(5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone
CID 136567414
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
N-(2,5-dimethylpyrazol-3-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 62166973

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide (CID 122141182) is N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide is CCc1ccc2occ(C(=O)NCCNc3cc(C)nn3C)c2c1.
What is the InChIKey of N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide?
The InChIKey is XUWSTLLHUGUNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-13-5-6-16-14(10-13)15(11-24-16)18(23)20-8-7-19-17-9-12(2)21-22(17)3/h5-6,9-11,19H,4,7-8H2,1-3H3,(H,20,23).
What are the key properties of N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide?
N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 122141182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).