1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone

C21H20FN3O — CID 67107210

IUPAC1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1)C1CCCC1
InChIInChI=1S/C21H20FN3O/c22-18-7-5-17(6-8-18)21-19(15-9-11-23-12-10-15)13-25(24-21)14-20(26)16-3-1-2-4-16/h5-13,16H,1-4,14H2
InChIKeyFZSMREAKVDAOAT-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.51
Rot. Bonds5

About 1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone

1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone (PubChem CID 67107210) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone
PubChem CID67107210
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone
SMILESO=C(Cn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1)C1CCCC1
InChIInChI=1S/C21H20FN3O/c22-18-7-5-17(6-8-18)21-19(15-9-11-23-12-10-15)13-25(24-21)14-20(26)16-3-1-2-4-16/h5-13,16H,1-4,14H2
InChIKeyFZSMREAKVDAOAT-UHFFFAOYSA-N
XLogP4.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone 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-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone?
The IUPAC name of 1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone (CID 67107210) is 1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone is O=C(Cn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone?
The InChIKey is FZSMREAKVDAOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-18-7-5-17(6-8-18)21-19(15-9-11-23-12-10-15)13-25(24-21)14-20(26)16-3-1-2-4-16/h5-13,16H,1-4,14H2.
What are the key properties of 1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone?
1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone has a molecular weight of 349.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanone is sourced from PubChem (CID 67107210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).