3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol

C13H22BrN3O — CID 114451911

IUPAC3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol
SMILESCCc1nn(CC)c(CC2CNCCC2O)c1Br
InChIInChI=1S/C13H22BrN3O/c1-3-10-13(14)11(17(4-2)16-10)7-9-8-15-6-5-12(9)18/h9,12,15,18H,3-8H2,1-2H3
InChIKeyYAGNBNZGMGJPER-UHFFFAOYSA-N
MW316.24 g/mol
LogP1.74
Rot. Bonds4

About 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol

3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol (PubChem CID 114451911) has the molecular formula C13H22BrN3O and a molecular weight of 316.24 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol
PubChem CID114451911
Molecular FormulaC13H22BrN3O
Molecular Weight316.24 g/mol
Exact Mass315.09
IUPAC Name3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol
SMILESCCc1nn(CC)c(CC2CNCCC2O)c1Br
InChIInChI=1S/C13H22BrN3O/c1-3-10-13(14)11(17(4-2)16-10)7-9-8-15-6-5-12(9)18/h9,12,15,18H,3-8H2,1-2H3
InChIKeyYAGNBNZGMGJPER-UHFFFAOYSA-N
XLogP1.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-one
CID 114451628
[2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cycloheptyl]methanamine
CID 81011059
(3S)-3-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]piperidine
CID 66245604
4-bromo-5-[(4-bromothiolan-3-yl)methyl]-1,3-diethylpyrazole
CID 83190531
(2R)-1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
CID 82761869
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]azepan-2-one
CID 104679680
4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-methylthiolan-3-amine
CID 83196932
4-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N-ethylthiolan-3-amine
CID 83195995
4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole
CID 66466489
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681461
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclohept-2-en-1-ol
CID 107383447
4-bromo-5-[(3-chlorocyclohepten-1-yl)methyl]-1,3-diethylpyrazole
CID 107383751

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol (CID 114451911) is 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol is CCc1nn(CC)c(CC2CNCCC2O)c1Br.
What is the InChIKey of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol?
The InChIKey is YAGNBNZGMGJPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O/c1-3-10-13(14)11(17(4-2)16-10)7-9-8-15-6-5-12(9)18/h9,12,15,18H,3-8H2,1-2H3.
What are the key properties of 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol?
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol has a molecular weight of 316.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114451911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).