2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione

C15H15N3O2 — CID 14662143

IUPAC2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCn1cccn1
InChIInChI=1S/C15H15N3O2/c19-14-12-6-1-2-7-13(12)15(20)18(14)11-4-3-9-17-10-5-8-16-17/h1-2,5-8,10H,3-4,9,11H2
InChIKeyUMMRMDUVWGWARP-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.96
Rot. Bonds5

About 2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione

2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione (PubChem CID 14662143) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione
PubChem CID14662143
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCn1cccn1
InChIInChI=1S/C15H15N3O2/c19-14-12-6-1-2-7-13(12)15(20)18(14)11-4-3-9-17-10-5-8-16-17/h1-2,5-8,10H,3-4,9,11H2
InChIKeyUMMRMDUVWGWARP-UHFFFAOYSA-N
XLogP1.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione
CID 14662149
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
4-amino-2-(3-pyrazol-1-ylpropyl)isoindole-1,3-dione
CID 115582329
2-(4-pyrimidin-2-ylbutyl)isoindole-1,3-dione
CID 70480156
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
tetrakis[4-(1,3-dioxoisoindol-2-yl)butyl]azanium
CID 10056713
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
CID 88976080
CID 88976080
CID 57427465
CID 57427465
3-(1,3-dioxoisoindol-2-yl)propan-1-olate
CID 140721734
2-[6-[6-(1,3-dioxoisoindol-2-yl)hexyldisulfanyl]hexyl]isoindole-1,3-dione
CID 15499684
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione (CID 14662143) is 2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCn1cccn1.
What is the InChIKey of 2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione?
The InChIKey is UMMRMDUVWGWARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-14-12-6-1-2-7-13(12)15(20)18(14)11-4-3-9-17-10-5-8-16-17/h1-2,5-8,10H,3-4,9,11H2.
What are the key properties of 2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione?
2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione has a molecular weight of 269.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione is sourced from PubChem (CID 14662143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).