4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine

C23H23ClF3N3O2 — CID 73296687

IUPAC4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine
SMILESCOc1ccccc1-n1nc(OC2CCN(CC(F)(F)F)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClF3N3O2/c1-31-21-5-3-2-4-19(21)30-20(16-6-8-17(24)9-7-16)14-22(28-30)32-18-10-12-29(13-11-18)15-23(25,26)27/h2-9,14,18H,10-13,15H2,1H3
InChIKeyMVUOEDQURQKALH-UHFFFAOYSA-N
MW465.90 g/mol
LogP5.61
Rot. Bonds6

About 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine

4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 73296687) has the molecular formula C23H23ClF3N3O2 and a molecular weight of 465.90 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID73296687
Molecular FormulaC23H23ClF3N3O2
Molecular Weight465.90 g/mol
Exact Mass465.14
IUPAC Name4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine
SMILESCOc1ccccc1-n1nc(OC2CCN(CC(F)(F)F)CC2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClF3N3O2/c1-31-21-5-3-2-4-19(21)30-20(16-6-8-17(24)9-7-16)14-22(28-30)32-18-10-12-29(13-11-18)15-23(25,26)27/h2-9,14,18H,10-13,15H2,1H3
InChIKeyMVUOEDQURQKALH-UHFFFAOYSA-N
XLogP5.61
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.90
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine (CID 73296687) is 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine is COc1ccccc1-n1nc(OC2CCN(CC(F)(F)F)CC2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is MVUOEDQURQKALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N3O2/c1-31-21-5-3-2-4-19(21)30-20(16-6-8-17(24)9-7-16)14-22(28-30)32-18-10-12-29(13-11-18)15-23(25,26)27/h2-9,14,18H,10-13,15H2,1H3.
What are the key properties of 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine?
4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 465.90 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]oxy-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 73296687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).