4-(4-bromopyrazol-1-yl)piperidine;hydrochloride

C8H13BrClN3 — CID 53407848

IUPAC4-(4-bromopyrazol-1-yl)piperidine;hydrochloride
SMILESBrc1cnn(C2CCNCC2)c1.Cl
InChIInChI=1S/C8H12BrN3.ClH/c9-7-5-11-12(6-7)8-1-3-10-4-2-8;/h5-6,8,10H,1-4H2;1H
InChIKeyRBJLNKMZSVRCTB-UHFFFAOYSA-N
MW266.57 g/mol
LogP1.99
Rot. Bonds1

About 4-(4-bromopyrazol-1-yl)piperidine;hydrochloride

4-(4-bromopyrazol-1-yl)piperidine;hydrochloride (PubChem CID 53407848) has the molecular formula C8H13BrClN3 and a molecular weight of 266.57 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)piperidine;hydrochloride
PubChem CID53407848
Molecular FormulaC8H13BrClN3
Molecular Weight266.57 g/mol
Exact Mass265.00
IUPAC Name4-(4-bromopyrazol-1-yl)piperidine;hydrochloride
SMILESBrc1cnn(C2CCNCC2)c1.Cl
InChIInChI=1S/C8H12BrN3.ClH/c9-7-5-11-12(6-7)8-1-3-10-4-2-8;/h5-6,8,10H,1-4H2;1H
InChIKeyRBJLNKMZSVRCTB-UHFFFAOYSA-N
XLogP1.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.57
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromopyrazol-1-yl)piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)piperidine;hydrochloride?
The IUPAC name of 4-(4-bromopyrazol-1-yl)piperidine;hydrochloride (CID 53407848) is 4-(4-bromopyrazol-1-yl)piperidine;hydrochloride.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)piperidine;hydrochloride?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)piperidine;hydrochloride is Brc1cnn(C2CCNCC2)c1.Cl.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)piperidine;hydrochloride?
The InChIKey is RBJLNKMZSVRCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3.ClH/c9-7-5-11-12(6-7)8-1-3-10-4-2-8;/h5-6,8,10H,1-4H2;1H.
What are the key properties of 4-(4-bromopyrazol-1-yl)piperidine;hydrochloride?
4-(4-bromopyrazol-1-yl)piperidine;hydrochloride has a molecular weight of 266.57 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)piperidine;hydrochloride is sourced from PubChem (CID 53407848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).