4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine

C20H26N6 — CID 72871904

IUPAC4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine
SMILESCN1CCC(Cc2nc(-c3ccnn3C)n(Cc3ccccc3)n2)CC1
InChIInChI=1S/C20H26N6/c1-24-12-9-16(10-13-24)14-19-22-20(18-8-11-21-25(18)2)26(23-19)15-17-6-4-3-5-7-17/h3-8,11,16H,9-10,12-15H2,1-2H3
InChIKeyKCDZXRHRHYIGFZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.61
Rot. Bonds5

About 4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine

4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine (PubChem CID 72871904) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine
PubChem CID72871904
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine
SMILESCN1CCC(Cc2nc(-c3ccnn3C)n(Cc3ccccc3)n2)CC1
InChIInChI=1S/C20H26N6/c1-24-12-9-16(10-13-24)14-19-22-20(18-8-11-21-25(18)2)26(23-19)15-17-6-4-3-5-7-17/h3-8,11,16H,9-10,12-15H2,1-2H3
InChIKeyKCDZXRHRHYIGFZ-UHFFFAOYSA-N
XLogP2.61
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine with MolForge

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Related Compounds

4-[[1-benzyl-5-[2-(5-methylpyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine
CID 72855043
3-[2-[(4-chlorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole
CID 72848906
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 52551408
4-benzyl-1-methylazepane
CID 123177845
2-[3-[(1-methylpiperidin-4-yl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]-1,2,4-triazol-1-yl]acetic acid
CID 74248076
2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine
CID 124992304
3-(2,2-dimethylpropyl)-1-methyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazole
CID 59744012
1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide
CID 14032592
1-benzyl-3-(2-methylpyrazol-3-yl)pyrazol-4-amine
CID 106758588
3-[(1-methylpiperidin-4-yl)methyl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 72861115
4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine
CID 110454841

Frequently Asked Questions

What is the IUPAC name of 4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine?
The IUPAC name of 4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine (CID 72871904) is 4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine?
The canonical SMILES for 4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine is CN1CCC(Cc2nc(-c3ccnn3C)n(Cc3ccccc3)n2)CC1.
What is the InChIKey of 4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine?
The InChIKey is KCDZXRHRHYIGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-24-12-9-16(10-13-24)14-19-22-20(18-8-11-21-25(18)2)26(23-19)15-17-6-4-3-5-7-17/h3-8,11,16H,9-10,12-15H2,1-2H3.
What are the key properties of 4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine?
4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine has a molecular weight of 350.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-benzyl-5-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1-methylpiperidine is sourced from PubChem (CID 72871904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).