3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine

C14H22BrN3O — CID 84608514

IUPAC3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine
SMILESCn1nc(C2CCCNC2)c(Br)c1C1CCOCC1
InChIInChI=1S/C14H22BrN3O/c1-18-14(10-4-7-19-8-5-10)12(15)13(17-18)11-3-2-6-16-9-11/h10-11,16H,2-9H2,1H3
InChIKeyQLUJFWNIWDKZEN-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.54
Rot. Bonds2

About 3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine

3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine (PubChem CID 84608514) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine.

Molecular Properties

Compound Name3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine
PubChem CID84608514
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine
SMILESCn1nc(C2CCCNC2)c(Br)c1C1CCOCC1
InChIInChI=1S/C14H22BrN3O/c1-18-14(10-4-7-19-8-5-10)12(15)13(17-18)11-3-2-6-16-9-11/h10-11,16H,2-9H2,1H3
InChIKeyQLUJFWNIWDKZEN-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[(3R)-piperidin-3-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 129407936
3-[4-bromo-5-(2-fluorophenyl)-2-methylpyrazol-3-yl]piperidine
CID 84611529
1-methyl-3-piperidin-3-ylindazol-7-amine
CID 175889087
2-bromo-5-methyl-4-piperidin-3-yl-1,3-thiazole
CID 115048783
5-bromo-4-piperidin-3-ylthiadiazole
CID 84706462
3-(oxan-4-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 97052951
1-ethyl-3-piperidin-3-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 121214685
3-methyl-5-(1-methyl-3-piperidin-3-ylpyrazol-4-yl)-1,2,4-oxadiazole
CID 128881282
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173
3-(5-ethyl-2H-triazol-4-yl)piperidine
CID 84768245
2-(1-methyl-3-piperidin-3-ylpyrazol-5-yl)ethanol;dihydrochloride
CID 71298828
3-(4-bromofuran-3-yl)piperidine
CID 82390956

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine?
The IUPAC name of 3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine (CID 84608514) is 3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine.
What is the SMILES notation for 3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine?
The canonical SMILES for 3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine is Cn1nc(C2CCCNC2)c(Br)c1C1CCOCC1.
What is the InChIKey of 3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine?
The InChIKey is QLUJFWNIWDKZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-18-14(10-4-7-19-8-5-10)12(15)13(17-18)11-3-2-6-16-9-11/h10-11,16H,2-9H2,1H3.
What are the key properties of 3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine?
3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine has a molecular weight of 328.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperidine is sourced from PubChem (CID 84608514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).