1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol

C12H21BrN2O — CID 114635708

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
SMILESCCCCCC(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H21BrN2O/c1-4-5-6-7-11(16)12-10(13)8-14-15(12)9(2)3/h8-9,11,16H,4-7H2,1-3H3
InChIKeyRXEGEWQCVLQUHU-UHFFFAOYSA-N
MW289.22 g/mol
LogP3.84
Rot. Bonds6

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol (PubChem CID 114635708) has the molecular formula C12H21BrN2O and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
PubChem CID114635708
Molecular FormulaC12H21BrN2O
Molecular Weight289.22 g/mol
Exact Mass288.08
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
SMILESCCCCCC(O)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H21BrN2O/c1-4-5-6-7-11(16)12-10(13)8-14-15(12)9(2)3/h8-9,11,16H,4-7H2,1-3H3
InChIKeyRXEGEWQCVLQUHU-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine
CID 105337039
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105041983
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
CID 114635561
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105128368
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-butylcyclohexyl)methanol
CID 115835410
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol
CID 103454535
2-(4-bromophenyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642929
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethoxypropan-1-ol
CID 114643705
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol (CID 114635708) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol is CCCCCC(O)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol?
The InChIKey is RXEGEWQCVLQUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O/c1-4-5-6-7-11(16)12-10(13)8-14-15(12)9(2)3/h8-9,11,16H,4-7H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol has a molecular weight of 289.22 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol is sourced from PubChem (CID 114635708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).