1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine

C21H21Cl2N3 — CID 3746693

IUPAC1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESClc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1
InChIInChI=1S/C21H21Cl2N3/c22-18-5-1-15(2-6-18)14-26-11-9-17(10-12-26)21-13-20(24-25-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2,(H,24,25)
InChIKeyYATPAHDOUJPRNV-UHFFFAOYSA-N
MW386.33 g/mol
LogP5.76
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine

1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine (PubChem CID 3746693) has the molecular formula C21H21Cl2N3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
PubChem CID3746693
Molecular FormulaC21H21Cl2N3
Molecular Weight386.33 g/mol
Exact Mass385.11
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
SMILESClc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1
InChIInChI=1S/C21H21Cl2N3/c22-18-5-1-15(2-6-18)14-26-11-9-17(10-12-26)21-13-20(24-25-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2,(H,24,25)
InChIKeyYATPAHDOUJPRNV-UHFFFAOYSA-N
XLogP5.76
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine (CID 3746693) is 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine is Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
The InChIKey is YATPAHDOUJPRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3/c22-18-5-1-15(2-6-18)14-26-11-9-17(10-12-26)21-13-20(24-25-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2,(H,24,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine?
1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine has a molecular weight of 386.33 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 3746693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).