1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine

C20H23ClN4S — CID 141085084

IUPAC1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine
SMILESClc1cccc(N2CCN(CCCn3ccc(-c4cccs4)n3)CC2)c1
InChIInChI=1S/C20H23ClN4S/c21-17-4-1-5-18(16-17)24-13-11-23(12-14-24)8-3-9-25-10-7-19(22-25)20-6-2-15-26-20/h1-2,4-7,10,15-16H,3,8-9,11-14H2
InChIKeyYEJUPKZPZFKIIA-UHFFFAOYSA-N
MW386.95 g/mol
LogP4.48
Rot. Bonds6

About 1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine

1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine (PubChem CID 141085084) has the molecular formula C20H23ClN4S and a molecular weight of 386.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine
PubChem CID141085084
Molecular FormulaC20H23ClN4S
Molecular Weight386.95 g/mol
Exact Mass386.13
IUPAC Name1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine
SMILESClc1cccc(N2CCN(CCCn3ccc(-c4cccs4)n3)CC2)c1
InChIInChI=1S/C20H23ClN4S/c21-17-4-1-5-18(16-17)24-13-11-23(12-14-24)8-3-9-25-10-7-19(22-25)20-6-2-15-26-20/h1-2,4-7,10,15-16H,3,8-9,11-14H2
InChIKeyYEJUPKZPZFKIIA-UHFFFAOYSA-N
XLogP4.48
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine (CID 141085084) is 1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine is Clc1cccc(N2CCN(CCCn3ccc(-c4cccs4)n3)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine?
The InChIKey is YEJUPKZPZFKIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4S/c21-17-4-1-5-18(16-17)24-13-11-23(12-14-24)8-3-9-25-10-7-19(22-25)20-6-2-15-26-20/h1-2,4-7,10,15-16H,3,8-9,11-14H2.
What are the key properties of 1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine?
1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine has a molecular weight of 386.95 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[3-(3-thiophen-2-ylpyrazol-1-yl)propyl]piperazine is sourced from PubChem (CID 141085084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).