4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine

C28H27ClFN3 — CID 71252034

IUPAC4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine
SMILESFc1ccc(CCN2CCC(c3cc(-c4ccc(Cl)cc4)n(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C28H27ClFN3/c29-24-10-8-23(9-11-24)28-20-27(31-33(28)26-4-2-1-3-5-26)22-15-18-32(19-16-22)17-14-21-6-12-25(30)13-7-21/h1-13,20,22H,14-19H2
InChIKeyKRBXPSJUJOQWHB-UHFFFAOYSA-N
MW460.00 g/mol
LogP6.75
Rot. Bonds6

About 4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine

4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine (PubChem CID 71252034) has the molecular formula C28H27ClFN3 and a molecular weight of 460.00 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine
PubChem CID71252034
Molecular FormulaC28H27ClFN3
Molecular Weight460.00 g/mol
Exact Mass459.19
IUPAC Name4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine
SMILESFc1ccc(CCN2CCC(c3cc(-c4ccc(Cl)cc4)n(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C28H27ClFN3/c29-24-10-8-23(9-11-24)28-20-27(31-33(28)26-4-2-1-3-5-26)22-15-18-32(19-16-22)17-14-21-6-12-25(30)13-7-21/h1-13,20,22H,14-19H2
InChIKeyKRBXPSJUJOQWHB-UHFFFAOYSA-N
XLogP6.75
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.00
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine (CID 71252034) is 4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine is Fc1ccc(CCN2CCC(c3cc(-c4ccc(Cl)cc4)n(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine?
The InChIKey is KRBXPSJUJOQWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClFN3/c29-24-10-8-23(9-11-24)28-20-27(31-33(28)26-4-2-1-3-5-26)22-15-18-32(19-16-22)17-14-21-6-12-25(30)13-7-21/h1-13,20,22H,14-19H2.
What are the key properties of 4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine?
4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine has a molecular weight of 460.00 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]-1-[2-(4-fluorophenyl)ethyl]piperidine is sourced from PubChem (CID 71252034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).