[2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate

C17H13FN2O2 — CID 42728891

IUPAC[2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate
SMILESCc1cc(OC(=O)c2ccccc2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C17H13FN2O2/c1-12-10-16(22-17(21)13-6-3-2-4-7-13)20(19-12)15-9-5-8-14(18)11-15/h2-11H,1H3
InChIKeyGMUJDZWPEMIVCF-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.54
Rot. Bonds3

About [2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate

[2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate (PubChem CID 42728891) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate
PubChem CID42728891
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name[2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate
SMILESCc1cc(OC(=O)c2ccccc2)n(-c2cccc(F)c2)n1
InChIInChI=1S/C17H13FN2O2/c1-12-10-16(22-17(21)13-6-3-2-4-7-13)20(19-12)15-9-5-8-14(18)11-15/h2-11H,1H3
InChIKeyGMUJDZWPEMIVCF-UHFFFAOYSA-N
XLogP3.54
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate 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-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate?
The IUPAC name of [2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate (CID 42728891) is [2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate.
What is the SMILES notation for [2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate?
The canonical SMILES for [2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate is Cc1cc(OC(=O)c2ccccc2)n(-c2cccc(F)c2)n1.
What is the InChIKey of [2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate?
The InChIKey is GMUJDZWPEMIVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-12-10-16(22-17(21)13-6-3-2-4-7-13)20(19-12)15-9-5-8-14(18)11-15/h2-11H,1H3.
What are the key properties of [2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate?
[2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate has a molecular weight of 296.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-5-methylpyrazol-3-yl] benzoate is sourced from PubChem (CID 42728891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).