2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione

C19H14FN3O3 — CID 168519285

IUPAC2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione
SMILESCn1ccc(COc2ccc(F)cc2N2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C19H14FN3O3/c1-22-9-8-13(21-22)11-26-17-7-6-12(20)10-16(17)23-18(24)14-4-2-3-5-15(14)19(23)25/h2-10H,11H2,1H3
InChIKeyQGYVUXKJGOOUJY-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.94
Rot. Bonds4

About 2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione

2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione (PubChem CID 168519285) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione
PubChem CID168519285
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione
SMILESCn1ccc(COc2ccc(F)cc2N2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C19H14FN3O3/c1-22-9-8-13(21-22)11-26-17-7-6-12(20)10-16(17)23-18(24)14-4-2-3-5-15(14)19(23)25/h2-10H,11H2,1H3
InChIKeyQGYVUXKJGOOUJY-UHFFFAOYSA-N
XLogP2.94
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.94
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

[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870154
3-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
CID 168528058
3-[(2-azido-4-fluorophenoxy)methyl]-1-methylpyrazole
CID 169326343
[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 82870264
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82865967
3-fluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870377
[4-fluoro-3-[(1-methylpyrazol-3-yl)methoxy]phenyl]boronic acid
CID 114674723
2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione
CID 168518069
3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonyl chloride
CID 82866185
2,3-difluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870156
2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione
CID 11688576
1-[2-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,4-diazepane
CID 82869614

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione (CID 168519285) is 2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione is Cn1ccc(COc2ccc(F)cc2N2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of 2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione?
The InChIKey is QGYVUXKJGOOUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c1-22-9-8-13(21-22)11-26-17-7-6-12(20)10-16(17)23-18(24)14-4-2-3-5-15(14)19(23)25/h2-10H,11H2,1H3.
What are the key properties of 2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione?
2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione has a molecular weight of 351.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168519285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).