(3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate

C18H15FN2O2 — CID 42726702

IUPAC(3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate
SMILESCCc1cc(OC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H15FN2O2/c1-2-15-12-17(21(20-15)16-6-4-3-5-7-16)23-18(22)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3
InChIKeyVJSPYZUYUTVYQK-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.79
Rot. Bonds4

About (3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate

(3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate (PubChem CID 42726702) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is (3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate.

Molecular Properties

Compound Name(3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate
PubChem CID42726702
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name(3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate
SMILESCCc1cc(OC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H15FN2O2/c1-2-15-12-17(21(20-15)16-6-4-3-5-7-16)23-18(22)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3
InChIKeyVJSPYZUYUTVYQK-UHFFFAOYSA-N
XLogP3.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-ethyl-1-phenylpyrazol-5-yl) 4-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 (3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate?
The IUPAC name of (3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate (CID 42726702) is (3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate.
What is the SMILES notation for (3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate?
The canonical SMILES for (3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate is CCc1cc(OC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1.
What is the InChIKey of (3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate?
The InChIKey is VJSPYZUYUTVYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-2-15-12-17(21(20-15)16-6-4-3-5-7-16)23-18(22)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3.
What are the key properties of (3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate?
(3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate has a molecular weight of 310.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-phenylpyrazol-5-yl) 4-fluorobenzoate is sourced from PubChem (CID 42726702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).