2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol

C15H25BrN2O — CID 80603146

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol
SMILESCc1nn(C)c(CC(O)C2CCCCCCC2)c1Br
InChIInChI=1S/C15H25BrN2O/c1-11-15(16)13(18(2)17-11)10-14(19)12-8-6-4-3-5-7-9-12/h12,14,19H,3-10H2,1-2H3
InChIKeyKBIVFHJFZFSYDZ-UHFFFAOYSA-N
MW329.28 g/mol
LogP3.75
Rot. Bonds3

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol (PubChem CID 80603146) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol
PubChem CID80603146
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol
SMILESCc1nn(C)c(CC(O)C2CCCCCCC2)c1Br
InChIInChI=1S/C15H25BrN2O/c1-11-15(16)13(18(2)17-11)10-14(19)12-8-6-4-3-5-7-9-12/h12,14,19H,3-10H2,1-2H3
InChIKeyKBIVFHJFZFSYDZ-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066422
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
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1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethanol
CID 79086818
1-[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448231
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
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CID 115814532
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 105000305
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-piperidin-4-ylethanol
CID 80560441
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(dimethylamino)propan-2-ol
CID 79088051
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4,4-dimethylpentane-2,3-diol
CID 103457086

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol (CID 80603146) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol is Cc1nn(C)c(CC(O)C2CCCCCCC2)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol?
The InChIKey is KBIVFHJFZFSYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-11-15(16)13(18(2)17-11)10-14(19)12-8-6-4-3-5-7-9-12/h12,14,19H,3-10H2,1-2H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol has a molecular weight of 329.28 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanol is sourced from PubChem (CID 80603146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).