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

C24H28ClN3 — CID 71251903

IUPAC4-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
SMILESCCn1nc(-c2ccc(Cl)cc2)cc1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H28ClN3/c1-2-28-24(18-23(26-28)20-8-10-22(25)11-9-20)21-13-16-27(17-14-21)15-12-19-6-4-3-5-7-19/h3-11,18,21H,2,12-17H2,1H3
InChIKeyRGHSNRUDSYJWAC-UHFFFAOYSA-N
MW393.96 g/mol
LogP5.65
Rot. Bonds6

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

4-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine (PubChem CID 71251903) has the molecular formula C24H28ClN3 and a molecular weight of 393.96 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
PubChem CID71251903
Molecular FormulaC24H28ClN3
Molecular Weight393.96 g/mol
Exact Mass393.20
IUPAC Name4-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
SMILESCCn1nc(-c2ccc(Cl)cc2)cc1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H28ClN3/c1-2-28-24(18-23(26-28)20-8-10-22(25)11-9-20)21-13-16-27(17-14-21)15-12-19-6-4-3-5-7-19/h3-11,18,21H,2,12-17H2,1H3
InChIKeyRGHSNRUDSYJWAC-UHFFFAOYSA-N
XLogP5.65
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.96
LogP ≤ 55.65
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-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine (CID 71251903) is 4-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine is CCn1nc(-c2ccc(Cl)cc2)cc1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine?
The InChIKey is RGHSNRUDSYJWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3/c1-2-28-24(18-23(26-28)20-8-10-22(25)11-9-20)21-13-16-27(17-14-21)15-12-19-6-4-3-5-7-19/h3-11,18,21H,2,12-17H2,1H3.
What are the key properties of 4-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine?
4-[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine has a molecular weight of 393.96 g/mol, XLogP of 5.65, 6 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-ethylpyrazol-5-yl]-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 71251903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).