3-(4-bromo-5-chloropyrazol-1-yl)piperidine

C8H11BrClN3 — CID 83672051

IUPAC3-(4-bromo-5-chloropyrazol-1-yl)piperidine
SMILESClc1c(Br)cnn1C1CCCNC1
InChIInChI=1S/C8H11BrClN3/c9-7-5-12-13(8(7)10)6-2-1-3-11-4-6/h5-6,11H,1-4H2
InChIKeyHWHHOFSADNUJIL-UHFFFAOYSA-N
MW264.55 g/mol
LogP2.22
Rot. Bonds1

About 3-(4-bromo-5-chloropyrazol-1-yl)piperidine

3-(4-bromo-5-chloropyrazol-1-yl)piperidine (PubChem CID 83672051) has the molecular formula C8H11BrClN3 and a molecular weight of 264.55 g/mol. Its IUPAC name is 3-(4-bromo-5-chloropyrazol-1-yl)piperidine.

Molecular Properties

Compound Name3-(4-bromo-5-chloropyrazol-1-yl)piperidine
PubChem CID83672051
Molecular FormulaC8H11BrClN3
Molecular Weight264.55 g/mol
Exact Mass262.98
IUPAC Name3-(4-bromo-5-chloropyrazol-1-yl)piperidine
SMILESClc1c(Br)cnn1C1CCCNC1
InChIInChI=1S/C8H11BrClN3/c9-7-5-12-13(8(7)10)6-2-1-3-11-4-6/h5-6,11H,1-4H2
InChIKeyHWHHOFSADNUJIL-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-4-nitropyrazol-1-yl)piperidine
CID 146481316
3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine
CID 84801407
3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine
CID 84604219
5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride
CID 162313016
3-(3,5-dimethylpyrazol-1-yl)piperidine
CID 54592912
3-bromo-7-chloro-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 89363808
3-[5-(4-bromophenyl)triazol-1-yl]piperidine
CID 165488289
(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
CID 140765908
4,5-dibromo-1-cyclopentylpyrazole
CID 115053117
5-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-piperidin-3-yl]pyridazin-3-one
CID 99965027
3-(5-ethylpyrazol-1-yl)piperidine
CID 84768027
(3R)-3-pyrrol-1-ylpiperidine
CID 95378994

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-chloropyrazol-1-yl)piperidine?
The IUPAC name of 3-(4-bromo-5-chloropyrazol-1-yl)piperidine (CID 83672051) is 3-(4-bromo-5-chloropyrazol-1-yl)piperidine.
What is the SMILES notation for 3-(4-bromo-5-chloropyrazol-1-yl)piperidine?
The canonical SMILES for 3-(4-bromo-5-chloropyrazol-1-yl)piperidine is Clc1c(Br)cnn1C1CCCNC1.
What is the InChIKey of 3-(4-bromo-5-chloropyrazol-1-yl)piperidine?
The InChIKey is HWHHOFSADNUJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClN3/c9-7-5-12-13(8(7)10)6-2-1-3-11-4-6/h5-6,11H,1-4H2.
What are the key properties of 3-(4-bromo-5-chloropyrazol-1-yl)piperidine?
3-(4-bromo-5-chloropyrazol-1-yl)piperidine has a molecular weight of 264.55 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-chloropyrazol-1-yl)piperidine is sourced from PubChem (CID 83672051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).