1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine

C13H18BrN5 — CID 75463426

IUPAC1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine
SMILESBrc1cnn(CCN2CCC(n3ccnc3)CC2)c1
InChIInChI=1S/C13H18BrN5/c14-12-9-16-19(10-12)8-7-17-4-1-13(2-5-17)18-6-3-15-11-18/h3,6,9-11,13H,1-2,4-5,7-8H2
InChIKeyYHYFIMVTKPKYGC-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.18
Rot. Bonds4

About 1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine

1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine (PubChem CID 75463426) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine.

Molecular Properties

Compound Name1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine
PubChem CID75463426
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine
SMILESBrc1cnn(CCN2CCC(n3ccnc3)CC2)c1
InChIInChI=1S/C13H18BrN5/c14-12-9-16-19(10-12)8-7-17-4-1-13(2-5-17)18-6-3-15-11-18/h3,6,9-11,13H,1-2,4-5,7-8H2
InChIKeyYHYFIMVTKPKYGC-UHFFFAOYSA-N
XLogP2.18
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine?
The IUPAC name of 1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine (CID 75463426) is 1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine.
What is the SMILES notation for 1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine?
The canonical SMILES for 1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine is Brc1cnn(CCN2CCC(n3ccnc3)CC2)c1.
What is the InChIKey of 1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine?
The InChIKey is YHYFIMVTKPKYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c14-12-9-16-19(10-12)8-7-17-4-1-13(2-5-17)18-6-3-15-11-18/h3,6,9-11,13H,1-2,4-5,7-8H2.
What are the key properties of 1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine?
1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine has a molecular weight of 324.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromopyrazol-1-yl)ethyl]-4-imidazol-1-ylpiperidine is sourced from PubChem (CID 75463426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).