4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine

C22H24ClN3 — CID 10618874

IUPAC4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine
SMILESClc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)[nH]n2)cc1
InChIInChI=1S/C22H24ClN3/c23-20-8-6-18(7-9-20)21-16-22(25-24-21)19-11-14-26(15-12-19)13-10-17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,24,25)
InChIKeyYCDXELFFFUYKMO-UHFFFAOYSA-N
MW365.91 g/mol
LogP5.15
Rot. Bonds5

About 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine

4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine (PubChem CID 10618874) has the molecular formula C22H24ClN3 and a molecular weight of 365.91 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine
PubChem CID10618874
Molecular FormulaC22H24ClN3
Molecular Weight365.91 g/mol
Exact Mass365.17
IUPAC Name4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine
SMILESClc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)[nH]n2)cc1
InChIInChI=1S/C22H24ClN3/c23-20-8-6-18(7-9-20)21-16-22(25-24-21)19-11-14-26(15-12-19)13-10-17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,24,25)
InChIKeyYCDXELFFFUYKMO-UHFFFAOYSA-N
XLogP5.15
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.91
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine (CID 10618874) is 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine is Clc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)[nH]n2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine?
The InChIKey is YCDXELFFFUYKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3/c23-20-8-6-18(7-9-20)21-16-22(25-24-21)19-11-14-26(15-12-19)13-10-17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,24,25).
What are the key properties of 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine?
4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine has a molecular weight of 365.91 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 10618874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).