1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine

C24H26Cl3N3O — CID 10227581

IUPAC1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine
SMILESCc1c(COCCN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H26Cl3N3O/c1-17-22(16-31-14-13-29-11-3-2-4-12-29)28-30(23-10-9-20(26)15-21(23)27)24(17)18-5-7-19(25)8-6-18/h5-10,15H,2-4,11-14,16H2,1H3
InChIKeyUOINGXZXFWPPEF-UHFFFAOYSA-N
MW478.85 g/mol
LogP6.81
Rot. Bonds7

About 1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine

1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine (PubChem CID 10227581) has the molecular formula C24H26Cl3N3O and a molecular weight of 478.85 g/mol. Its IUPAC name is 1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine
PubChem CID10227581
Molecular FormulaC24H26Cl3N3O
Molecular Weight478.85 g/mol
Exact Mass477.11
IUPAC Name1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine
SMILESCc1c(COCCN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H26Cl3N3O/c1-17-22(16-31-14-13-29-11-3-2-4-12-29)28-30(23-10-9-20(26)15-21(23)27)24(17)18-5-7-19(25)8-6-18/h5-10,15H,2-4,11-14,16H2,1H3
InChIKeyUOINGXZXFWPPEF-UHFFFAOYSA-N
XLogP6.81
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.85
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine (CID 10227581) is 1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine is Cc1c(COCCN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine?
The InChIKey is UOINGXZXFWPPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl3N3O/c1-17-22(16-31-14-13-29-11-3-2-4-12-29)28-30(23-10-9-20(26)15-21(23)27)24(17)18-5-7-19(25)8-6-18/h5-10,15H,2-4,11-14,16H2,1H3.
What are the key properties of 1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine?
1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine has a molecular weight of 478.85 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]methoxy]ethyl]piperidine is sourced from PubChem (CID 10227581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).