1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone

C19H19ClN4OS — CID 141111832

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone
SMILESO=C(Cn1ccc(-c2cccs2)n1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN4OS/c20-15-3-5-16(6-4-15)22-9-11-23(12-10-22)19(25)14-24-8-7-17(21-24)18-2-1-13-26-18/h1-8,13H,9-12,14H2
InChIKeyVVZWMPHLBREWCE-UHFFFAOYSA-N
MW386.91 g/mol
LogP3.61
Rot. Bonds4

About 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone (PubChem CID 141111832) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone
PubChem CID141111832
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone
SMILESO=C(Cn1ccc(-c2cccs2)n1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H19ClN4OS/c20-15-3-5-16(6-4-15)22-9-11-23(12-10-22)19(25)14-24-8-7-17(21-24)18-2-1-13-26-18/h1-8,13H,9-12,14H2
InChIKeyVVZWMPHLBREWCE-UHFFFAOYSA-N
XLogP3.61
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone
CID 142843206
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 55969661
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
N-(2,4-difluorophenyl)-2-[4-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]-1,4-diazepan-1-yl]acetamide
CID 74226479
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
[1-(4-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 5029102
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 46361154
ethyl 1-[2-[4-(4-iodophenyl)piperazin-1-yl]-2-oxoethyl]-3-thiophen-2-ylpyrazole-5-carboxylate
CID 70829470
[1-(4-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761815
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 90495308
2,5-dichloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 121139893

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone (CID 141111832) is 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone is O=C(Cn1ccc(-c2cccs2)n1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone?
The InChIKey is VVZWMPHLBREWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c20-15-3-5-16(6-4-15)22-9-11-23(12-10-22)19(25)14-24-8-7-17(21-24)18-2-1-13-26-18/h1-8,13H,9-12,14H2.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone?
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone has a molecular weight of 386.91 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(3-thiophen-2-ylpyrazol-1-yl)ethanone is sourced from PubChem (CID 141111832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).