2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol

C11H20BrN3O — CID 114666064

IUPAC2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)c1c(Br)cnn1CC
InChIInChI=1S/C11H20BrN3O/c1-4-6-13-8-11(3,16)10-9(12)7-14-15(10)5-2/h7,13,16H,4-6,8H2,1-3H3
InChIKeyYELWALHHINQZET-UHFFFAOYSA-N
MW290.20 g/mol
LogP1.87
Rot. Bonds6

About 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol

2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol (PubChem CID 114666064) has the molecular formula C11H20BrN3O and a molecular weight of 290.20 g/mol. Its IUPAC name is 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol
PubChem CID114666064
Molecular FormulaC11H20BrN3O
Molecular Weight290.20 g/mol
Exact Mass289.08
IUPAC Name2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)c1c(Br)cnn1CC
InChIInChI=1S/C11H20BrN3O/c1-4-6-13-8-11(3,16)10-9(12)7-14-15(10)5-2/h7,13,16H,4-6,8H2,1-3H3
InChIKeyYELWALHHINQZET-UHFFFAOYSA-N
XLogP1.87
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-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

2-(4-bromo-1-propylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666047
2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol
CID 114633818
2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol
CID 114638544
2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-(propylamino)butan-2-ol
CID 114665958
2-(4-bromo-1-methylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666048
3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114666999
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(ethylamino)propan-2-ol
CID 114666040
3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine
CID 114666527
2-(5-bromo-3-methyltriazol-4-yl)-1-(propylamino)propan-2-ol
CID 106463859
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633949
2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol
CID 114638555
1-(4-bromo-1,3-diethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66037713

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol?
The IUPAC name of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol (CID 114666064) is 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol?
The canonical SMILES for 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol is CCCNCC(C)(O)c1c(Br)cnn1CC.
What is the InChIKey of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol?
The InChIKey is YELWALHHINQZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3O/c1-4-6-13-8-11(3,16)10-9(12)7-14-15(10)5-2/h7,13,16H,4-6,8H2,1-3H3.
What are the key properties of 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol?
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol has a molecular weight of 290.20 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol is sourced from PubChem (CID 114666064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).