1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone

C20H20FN3OS — CID 71842292

IUPAC1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C20H20FN3OS/c21-17-3-1-4-18(11-17)24-14-16(13-22-24)15-6-8-23(9-7-15)20(25)12-19-5-2-10-26-19/h1-5,10-11,13-15H,6-9,12H2
InChIKeyFYZODUYEIHPCJM-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.02
Rot. Bonds4

About 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 71842292) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID71842292
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C20H20FN3OS/c21-17-3-1-4-18(11-17)24-14-16(13-22-24)15-6-8-23(9-7-15)20(25)12-19-5-2-10-26-19/h1-5,10-11,13-15H,6-9,12H2
InChIKeyFYZODUYEIHPCJM-UHFFFAOYSA-N
XLogP4.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 71842292) is 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1.
What is the InChIKey of 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is FYZODUYEIHPCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c21-17-3-1-4-18(11-17)24-14-16(13-22-24)15-6-8-23(9-7-15)20(25)12-19-5-2-10-26-19/h1-5,10-11,13-15H,6-9,12H2.
What are the key properties of 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 369.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 71842292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).