1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol

C12H21BrN2O — CID 114635714

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
SMILESCCCCCC(O)c1c(Br)cnn1CCC
InChIInChI=1S/C12H21BrN2O/c1-3-5-6-7-11(16)12-10(13)9-14-15(12)8-4-2/h9,11,16H,3-8H2,1-2H3
InChIKeyRRFMULFQKRZLGB-UHFFFAOYSA-N
MW289.22 g/mol
LogP3.67
Rot. Bonds7

About 1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol

1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol (PubChem CID 114635714) has the molecular formula C12H21BrN2O and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
PubChem CID114635714
Molecular FormulaC12H21BrN2O
Molecular Weight289.22 g/mol
Exact Mass288.08
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
SMILESCCCCCC(O)c1c(Br)cnn1CCC
InChIInChI=1S/C12H21BrN2O/c1-3-5-6-7-11(16)12-10(13)9-14-15(12)8-4-2/h9,11,16H,3-8H2,1-2H3
InChIKeyRRFMULFQKRZLGB-UHFFFAOYSA-N
XLogP3.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 53.67
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-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethylhexan-1-ol
CID 115835053
1-(4-bromo-1-propylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105128026
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495
1-(4-bromo-1-propylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105128010
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
CID 114635708
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114643865
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-fluorophenyl)ethanol
CID 114642960
(1S)-1-(4-bromo-1-propylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 104940519
(2-bromophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114634907
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115835103

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol (CID 114635714) is 1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol is CCCCCC(O)c1c(Br)cnn1CCC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol?
The InChIKey is RRFMULFQKRZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O/c1-3-5-6-7-11(16)12-10(13)9-14-15(12)8-4-2/h9,11,16H,3-8H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol?
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol has a molecular weight of 289.22 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol is sourced from PubChem (CID 114635714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).