2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

C19H18ClFN4OS — CID 141111835

IUPAC2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1ncc(Cl)c1-c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18ClFN4OS/c20-16-12-22-25(19(16)17-2-1-11-27-17)13-18(26)24-9-7-23(8-10-24)15-5-3-14(21)4-6-15/h1-6,11-12H,7-10,13H2
InChIKeyWZRNVDKKABZTIJ-UHFFFAOYSA-N
MW404.90 g/mol
LogP3.75
Rot. Bonds4

About 2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 141111835) has the molecular formula C19H18ClFN4OS and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID141111835
Molecular FormulaC19H18ClFN4OS
Molecular Weight404.90 g/mol
Exact Mass404.09
IUPAC Name2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1ncc(Cl)c1-c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H18ClFN4OS/c20-16-12-22-25(19(16)17-2-1-11-27-17)13-18(26)24-9-7-23(8-10-24)15-5-3-14(21)4-6-15/h1-6,11-12H,7-10,13H2
InChIKeyWZRNVDKKABZTIJ-UHFFFAOYSA-N
XLogP3.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 141111835) is 2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is O=C(Cn1ncc(Cl)c1-c1cccs1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is WZRNVDKKABZTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4OS/c20-16-12-22-25(19(16)17-2-1-11-27-17)13-18(26)24-9-7-23(8-10-24)15-5-3-14(21)4-6-15/h1-6,11-12H,7-10,13H2.
What are the key properties of 2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 404.90 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-thiophen-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 141111835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).