1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine

C22H24ClN3 — CID 10618875

IUPAC1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine
SMILESCc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24ClN3/c1-16-21(18-7-9-20(23)10-8-18)24-25-22(16)19-11-13-26(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,24,25)
InChIKeyGWSJSKIZAIMZOZ-UHFFFAOYSA-N
MW365.91 g/mol
LogP5.42
Rot. Bonds4

About 1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine

1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine (PubChem CID 10618875) has the molecular formula C22H24ClN3 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine
PubChem CID10618875
Molecular FormulaC22H24ClN3
Molecular Weight365.91 g/mol
Exact Mass365.17
IUPAC Name1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine
SMILESCc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24ClN3/c1-16-21(18-7-9-20(23)10-8-18)24-25-22(16)19-11-13-26(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,24,25)
InChIKeyGWSJSKIZAIMZOZ-UHFFFAOYSA-N
XLogP5.42
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.91
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine?
The IUPAC name of 1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine (CID 10618875) is 1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine.
What is the SMILES notation for 1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine?
The canonical SMILES for 1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine is Cc1c(-c2ccc(Cl)cc2)n[nH]c1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine?
The InChIKey is GWSJSKIZAIMZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3/c1-16-21(18-7-9-20(23)10-8-18)24-25-22(16)19-11-13-26(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,24,25).
What are the key properties of 1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine?
1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine has a molecular weight of 365.91 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]piperidine is sourced from PubChem (CID 10618875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).