1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine

C19H24N6 — CID 29087147

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine
SMILESCn1cc(CN2CCC(Cn3cc(-c4ccccc4)nn3)CC2)cn1
InChIInChI=1S/C19H24N6/c1-23-12-17(11-20-23)13-24-9-7-16(8-10-24)14-25-15-19(21-22-25)18-5-3-2-4-6-18/h2-6,11-12,15-16H,7-10,13-14H2,1H3
InChIKeyNZLGYNKIMQZBSF-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.59
Rot. Bonds5

About 1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine

1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine (PubChem CID 29087147) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine
PubChem CID29087147
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine
SMILESCn1cc(CN2CCC(Cn3cc(-c4ccccc4)nn3)CC2)cn1
InChIInChI=1S/C19H24N6/c1-23-12-17(11-20-23)13-24-9-7-16(8-10-24)14-25-15-19(21-22-25)18-5-3-2-4-6-18/h2-6,11-12,15-16H,7-10,13-14H2,1H3
InChIKeyNZLGYNKIMQZBSF-UHFFFAOYSA-N
XLogP2.59
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine (CID 29087147) is 1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine is Cn1cc(CN2CCC(Cn3cc(-c4ccccc4)nn3)CC2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine?
The InChIKey is NZLGYNKIMQZBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-23-12-17(11-20-23)13-24-9-7-16(8-10-24)14-25-15-19(21-22-25)18-5-3-2-4-6-18/h2-6,11-12,15-16H,7-10,13-14H2,1H3.
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine?
1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine has a molecular weight of 336.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-4-[(4-phenyltriazol-1-yl)methyl]piperidine is sourced from PubChem (CID 29087147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).