4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine

C24H22ClN3 — CID 11315219

IUPAC4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine
SMILESClc1cccc(-n2nc(C3CCNCC3)cc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C24H22ClN3/c25-21-6-3-7-22(15-21)28-24(16-23(27-28)18-10-12-26-13-11-18)20-9-8-17-4-1-2-5-19(17)14-20/h1-9,14-16,18,26H,10-13H2
InChIKeyJMCDTJYBWVOZLZ-UHFFFAOYSA-N
MW387.91 g/mol
LogP5.81
Rot. Bonds3

About 4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine

4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine (PubChem CID 11315219) has the molecular formula C24H22ClN3 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine
PubChem CID11315219
Molecular FormulaC24H22ClN3
Molecular Weight387.91 g/mol
Exact Mass387.15
IUPAC Name4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine
SMILESClc1cccc(-n2nc(C3CCNCC3)cc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C24H22ClN3/c25-21-6-3-7-22(15-21)28-24(16-23(27-28)18-10-12-26-13-11-18)20-9-8-17-4-1-2-5-19(17)14-20/h1-9,14-16,18,26H,10-13H2
InChIKeyJMCDTJYBWVOZLZ-UHFFFAOYSA-N
XLogP5.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-chlorophenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
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4-[1-(3-chlorophenyl)-3-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-5-yl]piperidine
CID 11224258
4-[1-(3-Chlorophenyl)-5-[2-(2,6-dichlorophenyl)ethyl]pyrazol-3-yl]piperidine
CID 44403293
3-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenyl-1h-pyrazol-4-ylmethyl]aniline
CID 52953134
5-(4-chloro-1-methyl-1H-indazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 56873864
1-[4-[3-Phenanthren-2-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperazine
CID 57671268
N-methyl-4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 57671269
4-[3-(4-Chlorophenyl)-1-phenylpyrazol-5-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine
CID 68212591
4-[5-(4-Chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine
CID 71252034
4-[1-(3-Chlorophenyl)-4-fluoro-5-naphthalen-2-ylpyrazol-3-yl]piperidine
CID 139994630
1-(4-Chlorophenyl)-5-naphthalen-2-yl-3-(trifluoromethyl)pyrazole
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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine?
The IUPAC name of 4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine (CID 11315219) is 4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine.
What is the SMILES notation for 4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine?
The canonical SMILES for 4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine is Clc1cccc(-n2nc(C3CCNCC3)cc2-c2ccc3ccccc3c2)c1.
What is the InChIKey of 4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine?
The InChIKey is JMCDTJYBWVOZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3/c25-21-6-3-7-22(15-21)28-24(16-23(27-28)18-10-12-26-13-11-18)20-9-8-17-4-1-2-5-19(17)14-20/h1-9,14-16,18,26H,10-13H2.
What are the key properties of 4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine?
4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine has a molecular weight of 387.91 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chlorophenyl)-5-naphthalen-2-ylpyrazol-3-yl]piperidine is sourced from PubChem (CID 11315219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).