3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one

C18H16N4O2 — CID 56981845

IUPAC3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one
SMILESCCn1nccc1N=CC1C(=O)Nc2cc(-c3ccco3)ccc21
InChIInChI=1S/C18H16N4O2/c1-2-22-17(7-8-20-22)19-11-14-13-6-5-12(16-4-3-9-24-16)10-15(13)21-18(14)23/h3-11,14H,2H2,1H3,(H,21,23)
InChIKeyFPUOHXRAKFKDOP-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.60
Rot. Bonds4

About 3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one

3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one (PubChem CID 56981845) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one
PubChem CID56981845
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one
SMILESCCn1nccc1N=CC1C(=O)Nc2cc(-c3ccco3)ccc21
InChIInChI=1S/C18H16N4O2/c1-2-22-17(7-8-20-22)19-11-14-13-6-5-12(16-4-3-9-24-16)10-15(13)21-18(14)23/h3-11,14H,2H2,1H3,(H,21,23)
InChIKeyFPUOHXRAKFKDOP-UHFFFAOYSA-N
XLogP3.60
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one (CID 56981845) is 3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one is CCn1nccc1N=CC1C(=O)Nc2cc(-c3ccco3)ccc21.
What is the InChIKey of 3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is FPUOHXRAKFKDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-22-17(7-8-20-22)19-11-14-13-6-5-12(16-4-3-9-24-16)10-15(13)21-18(14)23/h3-11,14H,2H2,1H3,(H,21,23).
What are the key properties of 3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one?
3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 320.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpyrazol-3-yl)iminomethyl]-6-(furan-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 56981845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).