2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione

C21H27N3O2 — CID 14662149

IUPAC2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCCn1cccn1
InChIInChI=1S/C21H27N3O2/c25-20-18-12-7-8-13-19(18)21(26)24(20)17-10-6-4-2-1-3-5-9-15-23-16-11-14-22-23/h7-8,11-14,16H,1-6,9-10,15,17H2
InChIKeyYLPYFHWUSCQMDF-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.30
Rot. Bonds11

About 2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione

2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione (PubChem CID 14662149) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione
PubChem CID14662149
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCCn1cccn1
InChIInChI=1S/C21H27N3O2/c25-20-18-12-7-8-13-19(18)21(26)24(20)17-10-6-4-2-1-3-5-9-15-23-16-11-14-22-23/h7-8,11-14,16H,1-6,9-10,15,17H2
InChIKeyYLPYFHWUSCQMDF-UHFFFAOYSA-N
XLogP4.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.30
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-(4-pyrazol-1-ylbutyl)isoindole-1,3-dione
CID 14662143
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-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
CID 88976080
CID 88976080
2-[6-[6-(1,3-dioxoisoindol-2-yl)hexyldisulfanyl]hexyl]isoindole-1,3-dione
CID 15499684
2-(4-pyrimidin-2-ylbutyl)isoindole-1,3-dione
CID 70480156
5-(1,3-dioxoisoindol-2-yl)pentyl-triethylazanium
CID 26723330
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
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528

Frequently Asked Questions

What is the IUPAC name of 2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione?
The IUPAC name of 2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione (CID 14662149) is 2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione?
The canonical SMILES for 2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCCCCCCn1cccn1.
What is the InChIKey of 2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione?
The InChIKey is YLPYFHWUSCQMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20-18-12-7-8-13-19(18)21(26)24(20)17-10-6-4-2-1-3-5-9-15-23-16-11-14-22-23/h7-8,11-14,16H,1-6,9-10,15,17H2.
What are the key properties of 2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione?
2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione has a molecular weight of 353.47 g/mol, XLogP of 4.30, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-pyrazol-1-yldecyl)isoindole-1,3-dione is sourced from PubChem (CID 14662149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).