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

C23H26ClN3 — CID 10738530

IUPAC4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidine
SMILESClc1ccc(-c2cc(C3CCN(CCCc4ccccc4)CC3)[nH]n2)cc1
InChIInChI=1S/C23H26ClN3/c24-21-10-8-19(9-11-21)22-17-23(26-25-22)20-12-15-27(16-13-20)14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,17,20H,4,7,12-16H2,(H,25,26)
InChIKeyNBVOTNJROVCMMX-UHFFFAOYSA-N
MW379.94 g/mol
LogP5.54
Rot. Bonds6

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

4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidine (PubChem CID 10738530) has the molecular formula C23H26ClN3 and a molecular weight of 379.94 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidine
PubChem CID10738530
Molecular FormulaC23H26ClN3
Molecular Weight379.94 g/mol
Exact Mass379.18
IUPAC Name4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidine
SMILESClc1ccc(-c2cc(C3CCN(CCCc4ccccc4)CC3)[nH]n2)cc1
InChIInChI=1S/C23H26ClN3/c24-21-10-8-19(9-11-21)22-17-23(26-25-22)20-12-15-27(16-13-20)14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,17,20H,4,7,12-16H2,(H,25,26)
InChIKeyNBVOTNJROVCMMX-UHFFFAOYSA-N
XLogP5.54
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.94
LogP ≤ 55.54
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-(3-phenylpropyl)piperidine?
The IUPAC name of 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidine (CID 10738530) is 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidine is Clc1ccc(-c2cc(C3CCN(CCCc4ccccc4)CC3)[nH]n2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidine?
The InChIKey is NBVOTNJROVCMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3/c24-21-10-8-19(9-11-21)22-17-23(26-25-22)20-12-15-27(16-13-20)14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,17,20H,4,7,12-16H2,(H,25,26).
What are the key properties of 4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidine?
4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-(3-phenylpropyl)piperidine has a molecular weight of 379.94 g/mol, XLogP of 5.54, 6 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-(3-phenylpropyl)piperidine is sourced from PubChem (CID 10738530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).