2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione

C18H14N4O2 — CID 155798792

IUPAC2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCn1ccc(-c2cccnc2)n1
InChIInChI=1S/C18H14N4O2/c23-17-14-5-1-2-6-15(14)18(24)22(17)11-10-21-9-7-16(20-21)13-4-3-8-19-12-13/h1-9,12H,10-11H2
InChIKeyAFWPMRSBMWGIMG-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.24
Rot. Bonds4

About 2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione

2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione (PubChem CID 155798792) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione
PubChem CID155798792
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCn1ccc(-c2cccnc2)n1
InChIInChI=1S/C18H14N4O2/c23-17-14-5-1-2-6-15(14)18(24)22(17)11-10-21-9-7-16(20-21)13-4-3-8-19-12-13/h1-9,12H,10-11H2
InChIKeyAFWPMRSBMWGIMG-UHFFFAOYSA-N
XLogP2.24
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine
CID 99964672
2-[2-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]isoindole-1,3-dione
CID 4900670
2-(10-pyridin-3-yldecyl)isoindole-1,3-dione
CID 11394426
3-(1-sulfanylpyrazol-3-yl)pyridine
CID 67474504
3-(1-fluoropyrazol-3-yl)pyridine
CID 174166820
2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]isoindole-1,3-dione
CID 91901612
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268
3-[2-[3-(3-bromophenyl)pyrazol-1-yl]ethyl]pyridine
CID 168964871
2-chloro-4-[1-[2-(5-pyridin-3-ylpyrazol-1-yl)ethyl]pyrazol-3-yl]benzonitrile
CID 141292654
4-(1,3-dioxoisoindol-2-yl)-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110318736
(2R,3R)-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-hydroxy-5-(4-pyridin-3-ylphenyl)pentanoic acid
CID 68961176

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione (CID 155798792) is 2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCn1ccc(-c2cccnc2)n1.
What is the InChIKey of 2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione?
The InChIKey is AFWPMRSBMWGIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17-14-5-1-2-6-15(14)18(24)22(17)11-10-21-9-7-16(20-21)13-4-3-8-19-12-13/h1-9,12H,10-11H2.
What are the key properties of 2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione?
2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione has a molecular weight of 318.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 155798792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).