1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol

C11H20BrN3O — CID 114635495

IUPAC1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
SMILESCCCC(O)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C11H20BrN3O/c1-4-5-10(16)11-9(12)8-13-15(11)7-6-14(2)3/h8,10,16H,4-7H2,1-3H3
InChIKeyZVOHVKOYPAASCH-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.04
Rot. Bonds6

About 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol (PubChem CID 114635495) has the molecular formula C11H20BrN3O and a molecular weight of 290.20 g/mol. Its IUPAC name is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
PubChem CID114635495
Molecular FormulaC11H20BrN3O
Molecular Weight290.20 g/mol
Exact Mass289.08
IUPAC Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
SMILESCCCC(O)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C11H20BrN3O/c1-4-5-10(16)11-9(12)8-13-15(11)7-6-14(2)3/h8,10,16H,4-7H2,1-3H3
InChIKeyZVOHVKOYPAASCH-UHFFFAOYSA-N
XLogP2.04
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(diethylamino)propan-1-ol
CID 114644599
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
CID 114645175
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methoxypentan-1-ol
CID 114645614
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-bromophenyl)ethanol
CID 114643468
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-thiophen-2-ylbutan-1-ol
CID 105127925
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-3-ol
CID 114664927
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(4-bromophenyl)ethanol
CID 114642923
1-(4-bromo-1-propylpyrazol-5-yl)hexan-1-ol
CID 114635714
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147566
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol
CID 114665884
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-pyridin-3-ylpropan-1-ol
CID 105127949

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol?
The IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol (CID 114635495) is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol.
What is the SMILES notation for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol?
The canonical SMILES for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol is CCCC(O)c1c(Br)cnn1CCN(C)C.
What is the InChIKey of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol?
The InChIKey is ZVOHVKOYPAASCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-4-5-10(16)11-9(12)8-13-15(11)7-6-14(2)3/h8,10,16H,4-7H2,1-3H3.
What are the key properties of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol?
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol has a molecular weight of 290.20 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol is sourced from PubChem (CID 114635495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).