1-[(4-bromopyrazol-1-yl)methyl]piperidine

C9H14BrN3 — CID 130686682

IUPAC1-[(4-bromopyrazol-1-yl)methyl]piperidine
SMILESBrc1cnn(CN2CCCCC2)c1
InChIInChI=1S/C9H14BrN3/c10-9-6-11-13(7-9)8-12-4-2-1-3-5-12/h6-7H,1-5,8H2
InChIKeyZRNLMMLPSKCYOE-UHFFFAOYSA-N
MW244.14 g/mol
LogP2.09
Rot. Bonds2

About 1-[(4-bromopyrazol-1-yl)methyl]piperidine

1-[(4-bromopyrazol-1-yl)methyl]piperidine (PubChem CID 130686682) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 1-[(4-bromopyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(4-bromopyrazol-1-yl)methyl]piperidine
PubChem CID130686682
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name1-[(4-bromopyrazol-1-yl)methyl]piperidine
SMILESBrc1cnn(CN2CCCCC2)c1
InChIInChI=1S/C9H14BrN3/c10-9-6-11-13(7-9)8-12-4-2-1-3-5-12/h6-7H,1-5,8H2
InChIKeyZRNLMMLPSKCYOE-UHFFFAOYSA-N
XLogP2.09
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromopyrazol-1-yl)methyl]piperidine?
The IUPAC name of 1-[(4-bromopyrazol-1-yl)methyl]piperidine (CID 130686682) is 1-[(4-bromopyrazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(4-bromopyrazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(4-bromopyrazol-1-yl)methyl]piperidine is Brc1cnn(CN2CCCCC2)c1.
What is the InChIKey of 1-[(4-bromopyrazol-1-yl)methyl]piperidine?
The InChIKey is ZRNLMMLPSKCYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c10-9-6-11-13(7-9)8-12-4-2-1-3-5-12/h6-7H,1-5,8H2.
What are the key properties of 1-[(4-bromopyrazol-1-yl)methyl]piperidine?
1-[(4-bromopyrazol-1-yl)methyl]piperidine has a molecular weight of 244.14 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromopyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 130686682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).