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

C22H24ClN3 — CID 10546828

IUPAC1-benzyl-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylpiperidine
SMILESCC1(c2cc(-c3ccc(Cl)cc3)n[nH]2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24ClN3/c1-22(11-13-26(14-12-22)16-17-5-3-2-4-6-17)21-15-20(24-25-21)18-7-9-19(23)10-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25)
InChIKeyUOIRCOOXVJGCIE-UHFFFAOYSA-N
MW365.91 g/mol
LogP5.28
Rot. Bonds4

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

1-benzyl-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylpiperidine (PubChem CID 10546828) has the molecular formula C22H24ClN3 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-benzyl-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-benzyl-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylpiperidine
PubChem CID10546828
Molecular FormulaC22H24ClN3
Molecular Weight365.91 g/mol
Exact Mass365.17
IUPAC Name1-benzyl-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylpiperidine
SMILESCC1(c2cc(-c3ccc(Cl)cc3)n[nH]2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24ClN3/c1-22(11-13-26(14-12-22)16-17-5-3-2-4-6-17)21-15-20(24-25-21)18-7-9-19(23)10-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25)
InChIKeyUOIRCOOXVJGCIE-UHFFFAOYSA-N
XLogP5.28
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 ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 449126
Zinc00434359
CID 869251
3,5-bis(4-chlorophenyl)-1H-pyrazole
CID 12436641
3-(4-Chlorophenyl)-5-methyl-1H-pyrazole
CID 606094
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1-[(4-chlorophenyl)methyl]piperidine
CID 3746693
3-(1-Benzyl-pyrrolidin-3-yl)-5-(4-chloro-phenyl)-1H-pyrazole
CID 10497193
1-Benzyl-4-[5-(4-chloro-phenyl)-1H-pyrazol-3-yl]-piperidine
CID 10594113
1-benzyl-4-[5-(4-chlorophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine
CID 10595908
1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine
CID 10615437
1-Benzyl-3-[5-(4-chloro-phenyl)-1H-pyrazol-3-yl]-piperidine
CID 10617946
4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethyl-piperidine
CID 10618874
1-Benzyl-4-[5-(4-chloro-phenyl)-4-methyl-1H-pyrazol-3-yl]-piperidine
CID 10618875

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylpiperidine?
The IUPAC name of 1-benzyl-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylpiperidine (CID 10546828) is 1-benzyl-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylpiperidine.
What is the SMILES notation for 1-benzyl-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylpiperidine?
The canonical SMILES for 1-benzyl-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylpiperidine is CC1(c2cc(-c3ccc(Cl)cc3)n[nH]2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylpiperidine?
The InChIKey is UOIRCOOXVJGCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3/c1-22(11-13-26(14-12-22)16-17-5-3-2-4-6-17)21-15-20(24-25-21)18-7-9-19(23)10-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25).
What are the key properties of 1-benzyl-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylpiperidine?
1-benzyl-4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-methylpiperidine has a molecular weight of 365.91 g/mol, XLogP of 5.28, 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)-1H-pyrazol-5-yl]-4-methylpiperidine is sourced from PubChem (CID 10546828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).