1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine

C22H24ClN3 — CID 21219164

IUPAC1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine
SMILESCc1c(-c2ccccc2)cnn1C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H24ClN3/c1-17-22(19-7-3-2-4-8-19)15-24-26(17)21-10-12-25(13-11-21)16-18-6-5-9-20(23)14-18/h2-9,14-15,21H,10-13,16H2,1H3
InChIKeyVIGLYHYRWJDUPG-UHFFFAOYSA-N
MW365.91 g/mol
LogP5.35
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine

1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine (PubChem CID 21219164) has the molecular formula C22H24ClN3 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine
PubChem CID21219164
Molecular FormulaC22H24ClN3
Molecular Weight365.91 g/mol
Exact Mass365.17
IUPAC Name1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine
SMILESCc1c(-c2ccccc2)cnn1C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C22H24ClN3/c1-17-22(19-7-3-2-4-8-19)15-24-26(17)21-10-12-25(13-11-21)16-18-6-5-9-20(23)14-18/h2-9,14-15,21H,10-13,16H2,1H3
InChIKeyVIGLYHYRWJDUPG-UHFFFAOYSA-N
XLogP5.35
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.91
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine (CID 21219164) is 1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine is Cc1c(-c2ccccc2)cnn1C1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine?
The InChIKey is VIGLYHYRWJDUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3/c1-17-22(19-7-3-2-4-8-19)15-24-26(17)21-10-12-25(13-11-21)16-18-6-5-9-20(23)14-18/h2-9,14-15,21H,10-13,16H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine?
1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine has a molecular weight of 365.91 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine is sourced from PubChem (CID 21219164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).