2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one

C16H20FN3O — CID 11173770

IUPAC2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one
SMILESO=c1[nH]n(CCN2CCC(F)CC2)cc1-c1ccccc1
InChIInChI=1S/C16H20FN3O/c17-14-6-8-19(9-7-14)10-11-20-12-15(16(21)18-20)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,18,21)
InChIKeyYCGDHNLAKZIAQS-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.28
Rot. Bonds4

About 2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one

2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one (PubChem CID 11173770) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one
PubChem CID11173770
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one
SMILESO=c1[nH]n(CCN2CCC(F)CC2)cc1-c1ccccc1
InChIInChI=1S/C16H20FN3O/c17-14-6-8-19(9-7-14)10-11-20-12-15(16(21)18-20)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,18,21)
InChIKeyYCGDHNLAKZIAQS-UHFFFAOYSA-N
XLogP2.28
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one 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-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one?
The IUPAC name of 2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one (CID 11173770) is 2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one is O=c1[nH]n(CCN2CCC(F)CC2)cc1-c1ccccc1.
What is the InChIKey of 2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one?
The InChIKey is YCGDHNLAKZIAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-14-6-8-19(9-7-14)10-11-20-12-15(16(21)18-20)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,18,21).
What are the key properties of 2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one?
2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one has a molecular weight of 289.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoropiperidin-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 11173770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).