[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate

C19H16F2N2O2 — CID 7202265

IUPAC[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate
SMILESCCCc1cc(OC(=O)c2ccccc2F)n(-c2cccc(F)c2)n1
InChIInChI=1S/C19H16F2N2O2/c1-2-6-14-12-18(23(22-14)15-8-5-7-13(20)11-15)25-19(24)16-9-3-4-10-17(16)21/h3-5,7-12H,2,6H2,1H3
InChIKeyQLIOVDVMLQGCBA-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.32
Rot. Bonds5

About [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate

[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate (PubChem CID 7202265) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate
PubChem CID7202265
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate
SMILESCCCc1cc(OC(=O)c2ccccc2F)n(-c2cccc(F)c2)n1
InChIInChI=1S/C19H16F2N2O2/c1-2-6-14-12-18(23(22-14)15-8-5-7-13(20)11-15)25-19(24)16-9-3-4-10-17(16)21/h3-5,7-12H,2,6H2,1H3
InChIKeyQLIOVDVMLQGCBA-UHFFFAOYSA-N
XLogP4.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate 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 [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate?
The IUPAC name of [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate (CID 7202265) is [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate.
What is the SMILES notation for [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate?
The canonical SMILES for [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate is CCCc1cc(OC(=O)c2ccccc2F)n(-c2cccc(F)c2)n1.
What is the InChIKey of [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate?
The InChIKey is QLIOVDVMLQGCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-2-6-14-12-18(23(22-14)15-8-5-7-13(20)11-15)25-19(24)16-9-3-4-10-17(16)21/h3-5,7-12H,2,6H2,1H3.
What are the key properties of [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate?
[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate has a molecular weight of 342.35 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-3-propylpyrazol-5-yl] 2-fluorobenzoate is sourced from PubChem (CID 7202265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).