1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine

C28H27Cl2N3 — CID 71252011

IUPAC1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine
SMILESClc1ccc(CCN2CCC(c3cc(-c4ccc(Cl)cc4)nn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H27Cl2N3/c29-24-10-6-21(7-11-24)14-17-32-18-15-23(16-19-32)28-20-27(22-8-12-25(30)13-9-22)31-33(28)26-4-2-1-3-5-26/h1-13,20,23H,14-19H2
InChIKeyWVALPRMKBRCXIF-UHFFFAOYSA-N
MW476.45 g/mol
LogP7.27
Rot. Bonds6

About 1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine

1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine (PubChem CID 71252011) has the molecular formula C28H27Cl2N3 and a molecular weight of 476.45 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine
PubChem CID71252011
Molecular FormulaC28H27Cl2N3
Molecular Weight476.45 g/mol
Exact Mass475.16
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine
SMILESClc1ccc(CCN2CCC(c3cc(-c4ccc(Cl)cc4)nn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C28H27Cl2N3/c29-24-10-6-21(7-11-24)14-17-32-18-15-23(16-19-32)28-20-27(22-8-12-25(30)13-9-22)31-33(28)26-4-2-1-3-5-26/h1-13,20,23H,14-19H2
InChIKeyWVALPRMKBRCXIF-UHFFFAOYSA-N
XLogP7.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.45
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
CID 54597102
4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
CID 71251956
2-[3-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine
CID 54597175
1-(1-benzhydrylazetidin-3-yl)-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine
CID 71252025
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
1-[2-(4-chlorophenyl)ethyl]-4-methylazepane
CID 166314408
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
5-(4-chlorophenyl)-4-methyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one
CID 21465541
[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119561078
4-[2-(4-phenylpiperidin-1-yl)ethyl]phenol
CID 14819324

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine (CID 71252011) is 1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine is Clc1ccc(CCN2CCC(c3cc(-c4ccc(Cl)cc4)nn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine?
The InChIKey is WVALPRMKBRCXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3/c29-24-10-6-21(7-11-24)14-17-32-18-15-23(16-19-32)28-20-27(22-8-12-25(30)13-9-22)31-33(28)26-4-2-1-3-5-26/h1-13,20,23H,14-19H2.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine?
1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine has a molecular weight of 476.45 g/mol, XLogP of 7.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine is sourced from PubChem (CID 71252011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).