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

C23H26ClN3 — CID 10595908

IUPAC1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine
SMILESCCc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26ClN3/c1-2-21-22(18-8-10-20(24)11-9-18)25-26-23(21)19-12-14-27(15-13-19)16-17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3,(H,25,26)
InChIKeyGJUDGMHZQOXKJL-UHFFFAOYSA-N
MW379.94 g/mol
LogP5.67
Rot. Bonds5

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

1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine (PubChem CID 10595908) has the molecular formula C23H26ClN3 and a molecular weight of 379.94 g/mol. Its IUPAC name is 1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine
PubChem CID10595908
Molecular FormulaC23H26ClN3
Molecular Weight379.94 g/mol
Exact Mass379.18
IUPAC Name1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine
SMILESCCc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26ClN3/c1-2-21-22(18-8-10-20(24)11-9-18)25-26-23(21)19-12-14-27(15-13-19)16-17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3,(H,25,26)
InChIKeyGJUDGMHZQOXKJL-UHFFFAOYSA-N
XLogP5.67
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.94
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine (CID 10595908) is 1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine is CCc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine?
The InChIKey is GJUDGMHZQOXKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3/c1-2-21-22(18-8-10-20(24)11-9-18)25-26-23(21)19-12-14-27(15-13-19)16-17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3,(H,25,26).
What are the key properties of 1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine?
1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine has a molecular weight of 379.94 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[3-(4-chlorophenyl)-4-ethyl-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 10595908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).