2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide

C23H16N4O4 — CID 60607497

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(-c2ccoc2)nn1-c1ccccc1
InChIInChI=1S/C23H16N4O4/c28-21(13-26-22(29)17-8-4-5-9-18(17)23(26)30)24-20-12-19(15-10-11-31-14-15)25-27(20)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,24,28)
InChIKeyCPZAALDTSYECBY-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.37
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide (PubChem CID 60607497) has the molecular formula C23H16N4O4 and a molecular weight of 412.41 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide
PubChem CID60607497
Molecular FormulaC23H16N4O4
Molecular Weight412.41 g/mol
Exact Mass412.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(-c2ccoc2)nn1-c1ccccc1
InChIInChI=1S/C23H16N4O4/c28-21(13-26-22(29)17-8-4-5-9-18(17)23(26)30)24-20-12-19(15-10-11-31-14-15)25-27(20)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,24,28)
InChIKeyCPZAALDTSYECBY-UHFFFAOYSA-N
XLogP3.37
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60607308
N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 16797171
2-(1,3-dioxoisoindol-2-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 46583198
(2S)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 124606164
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-5-yl]acetamide
CID 112805945
N-(1,3-diphenylpyrazol-5-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 38852056
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]acetamide
CID 39903279
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
1-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 24568699
3-(furan-3-yl)-1-phenylpyrazol-5-amine
CID 43158974
N-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)butanamide
CID 134800103
2-[[2-[[3-(4-butylphenyl)-1-phenylpyrazol-5-yl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772360

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide (CID 60607497) is 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(-c2ccoc2)nn1-c1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide?
The InChIKey is CPZAALDTSYECBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O4/c28-21(13-26-22(29)17-8-4-5-9-18(17)23(26)30)24-20-12-19(15-10-11-31-14-15)25-27(20)16-6-2-1-3-7-16/h1-12,14H,13H2,(H,24,28).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide has a molecular weight of 412.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-3-yl)-1-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 60607497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).