4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine

C23H26ClN3 — CID 71251956

IUPAC4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
SMILESCn1nc(-c2ccc(Cl)cc2)cc1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H26ClN3/c1-26-23(17-22(25-26)19-7-9-21(24)10-8-19)20-12-15-27(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,17,20H,11-16H2,1H3
InChIKeyUVBFKAFLIILIFR-UHFFFAOYSA-N
MW379.94 g/mol
LogP5.16
Rot. Bonds5

About 4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine

4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine (PubChem CID 71251956) has the molecular formula C23H26ClN3 and a molecular weight of 379.94 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
PubChem CID71251956
Molecular FormulaC23H26ClN3
Molecular Weight379.94 g/mol
Exact Mass379.18
IUPAC Name4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
SMILESCn1nc(-c2ccc(Cl)cc2)cc1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H26ClN3/c1-26-23(17-22(25-26)19-7-9-21(24)10-8-19)20-12-15-27(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,17,20H,11-16H2,1H3
InChIKeyUVBFKAFLIILIFR-UHFFFAOYSA-N
XLogP5.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.94
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine (CID 71251956) is 4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine is Cn1nc(-c2ccc(Cl)cc2)cc1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine?
The InChIKey is UVBFKAFLIILIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3/c1-26-23(17-22(25-26)19-7-9-21(24)10-8-19)20-12-15-27(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,17,20H,11-16H2,1H3.
What are the key properties of 4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine?
4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine has a molecular weight of 379.94 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 71251956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).