2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione

C18H12FN3O2 — CID 134440531

IUPAC2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione
SMILESCc1c(N2C(=O)c3ccccc3C2=O)n[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O2/c1-10-15(11-6-8-12(19)9-7-11)20-21-16(10)22-17(23)13-4-2-3-5-14(13)18(22)24/h2-9H,1H3,(H,20,21)
InChIKeyYDOLPCAGRWZFMX-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.32
Rot. Bonds2

About 2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione

2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione (PubChem CID 134440531) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione
PubChem CID134440531
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione
SMILESCc1c(N2C(=O)c3ccccc3C2=O)n[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O2/c1-10-15(11-6-8-12(19)9-7-11)20-21-16(10)22-17(23)13-4-2-3-5-14(13)18(22)24/h2-9H,1H3,(H,20,21)
InChIKeyYDOLPCAGRWZFMX-UHFFFAOYSA-N
XLogP3.32
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[5-(4-fluorophenyl)-4-methyl-1H-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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione (CID 134440531) is 2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione is Cc1c(N2C(=O)c3ccccc3C2=O)n[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione?
The InChIKey is YDOLPCAGRWZFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c1-10-15(11-6-8-12(19)9-7-11)20-21-16(10)22-17(23)13-4-2-3-5-14(13)18(22)24/h2-9H,1H3,(H,20,21).
What are the key properties of 2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione?
2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione has a molecular weight of 321.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-4-methyl-1H-pyrazol-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 134440531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).