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

C13H24BrN3O2 — CID 114645586

IUPAC1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol
SMILESCCOC(CC)C(O)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C13H24BrN3O2/c1-5-11(19-6-2)13(18)12-10(14)9-15-17(12)8-7-16(3)4/h9,11,13,18H,5-8H2,1-4H3
InChIKeyJGLUYXLHZOVMGJ-UHFFFAOYSA-N
MW334.26 g/mol
LogP2.06
Rot. Bonds8

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

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol (PubChem CID 114645586) has the molecular formula C13H24BrN3O2 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol.

Molecular Properties

Compound Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol
PubChem CID114645586
Molecular FormulaC13H24BrN3O2
Molecular Weight334.26 g/mol
Exact Mass333.11
IUPAC Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol
SMILESCCOC(CC)C(O)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C13H24BrN3O2/c1-5-11(19-6-2)13(18)12-10(14)9-15-17(12)8-7-16(3)4/h9,11,13,18H,5-8H2,1-4H3
InChIKeyJGLUYXLHZOVMGJ-UHFFFAOYSA-N
XLogP2.06
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-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]-2-methoxypentan-1-ol
CID 114645614
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxypentan-1-ol
CID 114645610
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2,2-trifluoroethanol
CID 114643507
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(diethylamino)propan-1-ol
CID 114644599
2-[4-bromo-5-(2-ethoxy-1-hydrazinyl-3-methylbutyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105272360
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine
CID 114661659
2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine
CID 170946236
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(4-bromophenyl)ethanol
CID 114642923
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromophenyl)methanol
CID 114634904
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-ethylpyrazol-3-yl)methanol
CID 114638722
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-methylpropylamino)ethanol
CID 114665884

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol?
The IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol (CID 114645586) is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol.
What is the SMILES notation for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol?
The canonical SMILES for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol is CCOC(CC)C(O)c1c(Br)cnn1CCN(C)C.
What is the InChIKey of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol?
The InChIKey is JGLUYXLHZOVMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3O2/c1-5-11(19-6-2)13(18)12-10(14)9-15-17(12)8-7-16(3)4/h9,11,13,18H,5-8H2,1-4H3.
What are the key properties of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol?
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol has a molecular weight of 334.26 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol is sourced from PubChem (CID 114645586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).