2-(1H-pyrazol-5-yl)isoindole-1,3-dione

C11H7N3O2 — CID 2807896

IUPAC2-(1H-pyrazol-5-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccn[nH]1
InChIInChI=1S/C11H7N3O2/c15-10-7-3-1-2-4-8(7)11(16)14(10)9-5-6-12-13-9/h1-6H,(H,12,13)
InChIKeyTXJMOUZMFKYCOY-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.21
Rot. Bonds1

About 2-(1H-pyrazol-5-yl)isoindole-1,3-dione

2-(1H-pyrazol-5-yl)isoindole-1,3-dione (PubChem CID 2807896) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)isoindole-1,3-dione
PubChem CID2807896
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name2-(1H-pyrazol-5-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccn[nH]1
InChIInChI=1S/C11H7N3O2/c15-10-7-3-1-2-4-8(7)11(16)14(10)9-5-6-12-13-9/h1-6H,(H,12,13)
InChIKeyTXJMOUZMFKYCOY-UHFFFAOYSA-N
XLogP1.21
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-(1H-pyrazol-5-yl)urea
CID 67283468
2-Methyl-N-1H-pyrazol-3-ylbenzamide
CID 59547843
2,6-Difluoro-N-(1H-pyrazol-3-yl)benzamide
CID 59547942
2-(1-Methyl-1H-pyrazol-3-yl)-1H-isoindole-1,3(2H)-dione
CID 614806
2-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 8198944
2-(1-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 2808763
N-(1h-pyrazol-5-yl)-2,3,4,5-tetrafluorobenz-amide
CID 12164574
2-(1H-pyrazol-4-yl)isoindoline-1,3-dione
CID 2755705
Phthalimidoethylpyrazole
CID 54123908
3-(1H-pyrazol-3-ylamino)-2H-isoquinolin-1-one
CID 57799701
Pyrazolylindolin-2-one
CID 172053335
2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzamide
CID 80711085

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1H-pyrazol-5-yl)isoindole-1,3-dione (CID 2807896) is 2-(1H-pyrazol-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1H-pyrazol-5-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccn[nH]1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)isoindole-1,3-dione?
The InChIKey is TXJMOUZMFKYCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-10-7-3-1-2-4-8(7)11(16)14(10)9-5-6-12-13-9/h1-6H,(H,12,13).
What are the key properties of 2-(1H-pyrazol-5-yl)isoindole-1,3-dione?
2-(1H-pyrazol-5-yl)isoindole-1,3-dione has a molecular weight of 213.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 2807896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).