1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine

C20H20Cl2N4 — CID 46228536

IUPAC1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine
SMILESClc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1
InChIInChI=1S/C20H20Cl2N4/c21-17-1-5-19(6-2-17)25-11-9-24(10-12-25)14-16-13-23-26(15-16)20-7-3-18(22)4-8-20/h1-8,13,15H,9-12,14H2
InChIKeyUOYKOEUMKYGXEL-UHFFFAOYSA-N
MW387.31 g/mol
LogP4.50
Rot. Bonds4

About 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine

1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine (PubChem CID 46228536) has the molecular formula C20H20Cl2N4 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine
PubChem CID46228536
Molecular FormulaC20H20Cl2N4
Molecular Weight387.31 g/mol
Exact Mass386.11
IUPAC Name1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine
SMILESClc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1
InChIInChI=1S/C20H20Cl2N4/c21-17-1-5-19(6-2-17)25-11-9-24(10-12-25)14-16-13-23-26(15-16)20-7-3-18(22)4-8-20/h1-8,13,15H,9-12,14H2
InChIKeyUOYKOEUMKYGXEL-UHFFFAOYSA-N
XLogP4.50
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10336538
Fauc 113
CID 10404144
1-(4-(1H-pyrazol-1-yl)benzyl)-4-phenylpiperazine
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Enpiprazole
CID 208921
1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
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1-(2-fluorophenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 41532205
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
1-((1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)methyl)-4-phenylpiperazine
CID 10338184
1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-phenylpiperazine
CID 11624518
1-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-(4-fluorophenyl)piperazine
CID 8440567
3-[[4-(4-Chlorophenyl)piperazin-1-yl]methyl]-7-iodopyrazolo[1,5-a]pyridine
CID 10049549
4-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine
CID 10871118

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine (CID 46228536) is 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine is Clc1ccc(N2CCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine?
The InChIKey is UOYKOEUMKYGXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4/c21-17-1-5-19(6-2-17)25-11-9-24(10-12-25)14-16-13-23-26(15-16)20-7-3-18(22)4-8-20/h1-8,13,15H,9-12,14H2.
What are the key properties of 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine?
1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine has a molecular weight of 387.31 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 46228536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).