2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione

C18H10F3N3O2 — CID 2809262

IUPAC2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H10F3N3O2/c19-18(20,21)15-9-10-23(22-15)11-5-7-12(8-6-11)24-16(25)13-3-1-2-4-14(13)17(24)26/h1-10H
InChIKeyQSFWOHBQQXCTKK-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.69
Rot. Bonds2

About 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione

2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione (PubChem CID 2809262) has the molecular formula C18H10F3N3O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione
PubChem CID2809262
Molecular FormulaC18H10F3N3O2
Molecular Weight357.29 g/mol
Exact Mass357.07
IUPAC Name2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C18H10F3N3O2/c19-18(20,21)15-9-10-23(22-15)11-5-7-12(8-6-11)24-16(25)13-3-1-2-4-14(13)17(24)26/h1-10H
InChIKeyQSFWOHBQQXCTKK-UHFFFAOYSA-N
XLogP3.69
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione (CID 2809262) is 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione?
The InChIKey is QSFWOHBQQXCTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3O2/c19-18(20,21)15-9-10-23(22-15)11-5-7-12(8-6-11)24-16(25)13-3-1-2-4-14(13)17(24)26/h1-10H.
What are the key properties of 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione?
2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione has a molecular weight of 357.29 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 2809262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).