2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione

C19H14FN3O2 — CID 67281270

IUPAC2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione
SMILESCc1cccc(Cn2ccc(N3C(=O)c4ccccc4C3=O)n2)c1F
InChIInChI=1S/C19H14FN3O2/c1-12-5-4-6-13(17(12)20)11-22-10-9-16(21-22)23-18(24)14-7-2-3-8-15(14)19(23)25/h2-10H,11H2,1H3
InChIKeyWSFZCOYSOCHLCH-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.18
Rot. Bonds3

About 2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione

2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione (PubChem CID 67281270) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione
PubChem CID67281270
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione
SMILESCc1cccc(Cn2ccc(N3C(=O)c4ccccc4C3=O)n2)c1F
InChIInChI=1S/C19H14FN3O2/c1-12-5-4-6-13(17(12)20)11-22-10-9-16(21-22)23-18(24)14-7-2-3-8-15(14)19(23)25/h2-10H,11H2,1H3
InChIKeyWSFZCOYSOCHLCH-UHFFFAOYSA-N
XLogP3.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-Dimethyl-1H-pyrazol-5-yl)-1H-isoindole-1,3(2H)-dione
CID 2811961
Gsk-5498A
CID 46945384
N-(1-benzyl-1H-pyrazol-3-yl)-3-fluorobenzamide
CID 1509639
N-(1-benzyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 1509180
2-(1-Methyl-1H-pyrazol-3-yl)-1H-isoindole-1,3(2H)-dione
CID 614806
2-(1,3-dioxoisoindol-2-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 8198944
2-(1-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 2808763
2-(1H-Pyrazol-3-yl)-1H-isoindole-1,3(2H)-dione
CID 2807896
2-(2-((2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)(1H-pyrazol-1-ylmethyl)amino)ethyl)-1H-isoindole-1,3(2H)-dione
CID 361759
2-[1-Methyl-4-phenyl-3-(trifluoromethyl)pyrazol-5-yl]isoindole-1,3-dione
CID 2740985
N-(1-methylpyrazol-3-yl)naphthalene-1-carboxamide
CID 18152582
2-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]hexahydro-1H-isoindole-1,3(2H)-dione
CID 71834360

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione (CID 67281270) is 2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione is Cc1cccc(Cn2ccc(N3C(=O)c4ccccc4C3=O)n2)c1F.
What is the InChIKey of 2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione?
The InChIKey is WSFZCOYSOCHLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-12-5-4-6-13(17(12)20)11-22-10-9-16(21-22)23-18(24)14-7-2-3-8-15(14)19(23)25/h2-10H,11H2,1H3.
What are the key properties of 2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione?
2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione has a molecular weight of 335.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 67281270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).