2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone

C19H19FN4OS — CID 75527399

IUPAC2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C19H19FN4OS/c20-15-4-1-3-14(11-15)12-19(25)24-8-6-23(7-9-24)18-13-16(21-22-18)17-5-2-10-26-17/h1-5,10-11,13H,6-9,12H2,(H,21,22)
InChIKeyMZYUIERHEZSPBK-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.17
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone

2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone (PubChem CID 75527399) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
PubChem CID75527399
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C19H19FN4OS/c20-15-4-1-3-14(11-15)12-19(25)24-8-6-23(7-9-24)18-13-16(21-22-18)17-5-2-10-26-17/h1-5,10-11,13H,6-9,12H2,(H,21,22)
InChIKeyMZYUIERHEZSPBK-UHFFFAOYSA-N
XLogP3.17
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone (CID 75527399) is 2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone?
The InChIKey is MZYUIERHEZSPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c20-15-4-1-3-14(11-15)12-19(25)24-8-6-23(7-9-24)18-13-16(21-22-18)17-5-2-10-26-17/h1-5,10-11,13H,6-9,12H2,(H,21,22).
What are the key properties of 2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone has a molecular weight of 370.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 75527399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).