1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol

C14H24BrN3O — CID 114338154

IUPAC1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol
SMILESCc1nn(C)c(CN2CCCCC2CC(C)O)c1Br
InChIInChI=1S/C14H24BrN3O/c1-10(19)8-12-6-4-5-7-18(12)9-13-14(15)11(2)16-17(13)3/h10,12,19H,4-9H2,1-3H3
InChIKeyGZTWHASLJSVCLA-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.62
Rot. Bonds4

About 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol

1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol (PubChem CID 114338154) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol
PubChem CID114338154
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol
SMILESCc1nn(C)c(CN2CCCCC2CC(C)O)c1Br
InChIInChI=1S/C14H24BrN3O/c1-10(19)8-12-6-4-5-7-18(12)9-13-14(15)11(2)16-17(13)3/h10,12,19H,4-9H2,1-3H3
InChIKeyGZTWHASLJSVCLA-UHFFFAOYSA-N
XLogP2.62
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338910
1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propylpiperidine
CID 83062124
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopentylpropan-2-ol
CID 115814579
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338025
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol
CID 80603146
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338759
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338091
1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338141
1-[1-[(5-bromothiophen-2-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338850
1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976270
1-[4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 136538406

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol (CID 114338154) is 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol is Cc1nn(C)c(CN2CCCCC2CC(C)O)c1Br.
What is the InChIKey of 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol?
The InChIKey is GZTWHASLJSVCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-10(19)8-12-6-4-5-7-18(12)9-13-14(15)11(2)16-17(13)3/h10,12,19H,4-9H2,1-3H3.
What are the key properties of 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol?
1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol has a molecular weight of 330.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).