4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine

C11H18BrN3 — CID 83671733

IUPAC4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine
SMILESCC(C)c1nn(C2CCNCC2)cc1Br
InChIInChI=1S/C11H18BrN3/c1-8(2)11-10(12)7-15(14-11)9-3-5-13-6-4-9/h7-9,13H,3-6H2,1-2H3
InChIKeyXHBFGQCFIRVHTD-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.69
Rot. Bonds2

About 4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine

4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine (PubChem CID 83671733) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine.

Molecular Properties

Compound Name4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine
PubChem CID83671733
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine
SMILESCC(C)c1nn(C2CCNCC2)cc1Br
InChIInChI=1S/C11H18BrN3/c1-8(2)11-10(12)7-15(14-11)9-3-5-13-6-4-9/h7-9,13H,3-6H2,1-2H3
InChIKeyXHBFGQCFIRVHTD-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-methoxy-2-piperidin-4-ylindazole
CID 170334625
tert-butyl 3-(4-bromo-3-propan-2-ylpyrazol-1-yl)pyrrolidine-1-carboxylate
CID 170987412
2-(1-piperidin-4-ylpyrazol-4-yl)propan-1-amine
CID 105462321
4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
CID 172561235
4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride
CID 154582392
4-amino-1-piperidin-4-ylpyrazole-3-carboxamide
CID 171058867
4-[4-(4-methyl-1,3-dioxetan-2-yl)pyrazol-1-yl]piperidine
CID 70903493
4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole
CID 84604209
4-(4-chloropyrazol-1-yl)piperidine;hydrochloride
CID 71758511
5-bromo-2-pyrrolidin-3-ylindazole
CID 169087490
7-bromo-3-methyl-1-piperidin-4-ylindazole
CID 84815234
4-[4-(diethoxymethyl)triazol-1-yl]piperidine
CID 150718724

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine?
The IUPAC name of 4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine (CID 83671733) is 4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine.
What is the SMILES notation for 4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine?
The canonical SMILES for 4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine is CC(C)c1nn(C2CCNCC2)cc1Br.
What is the InChIKey of 4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine?
The InChIKey is XHBFGQCFIRVHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8(2)11-10(12)7-15(14-11)9-3-5-13-6-4-9/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine?
4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine has a molecular weight of 272.19 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-propan-2-ylpyrazol-1-yl)piperidine is sourced from PubChem (CID 83671733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).