1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone

C10H16BrN3O — CID 114668844

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone
SMILESCCCn1ncc(Br)c1C(=O)CNCC
InChIInChI=1S/C10H16BrN3O/c1-3-5-14-10(8(11)6-13-14)9(15)7-12-4-2/h6,12H,3-5,7H2,1-2H3
InChIKeyHYPLYLCAQGRYIN-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.85
Rot. Bonds6

About 1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone

1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone (PubChem CID 114668844) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone
PubChem CID114668844
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone
SMILESCCCn1ncc(Br)c1C(=O)CNCC
InChIInChI=1S/C10H16BrN3O/c1-3-5-14-10(8(11)6-13-14)9(15)7-12-4-2/h6,12H,3-5,7H2,1-2H3
InChIKeyHYPLYLCAQGRYIN-UHFFFAOYSA-N
XLogP1.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone 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-propylpyrazol-5-yl)-2-(prop-2-enylamino)ethanone
CID 114670151
2-anilino-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114668471
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(propylamino)ethanone
CID 114668870
1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone
CID 114641322
1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543836
1-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-one
CID 114642443
1-(4-bromo-1-propylpyrazol-5-yl)-3-(tert-butylamino)propan-1-one
CID 114668606
3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one
CID 114671080
2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114638949
2-(4-bromophenyl)sulfanyl-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114640903
(E)-1-(4-bromo-1-propylpyrazol-5-yl)but-2-en-1-one
CID 103453393
1-(4-bromo-1-propylpyrazol-5-yl)-3-methylbut-2-en-1-one
CID 103455565

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone (CID 114668844) is 1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone is CCCn1ncc(Br)c1C(=O)CNCC.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone?
The InChIKey is HYPLYLCAQGRYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-5-14-10(8(11)6-13-14)9(15)7-12-4-2/h6,12H,3-5,7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone?
1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone has a molecular weight of 274.16 g/mol, XLogP of 1.85, 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-propylpyrazol-5-yl)-2-(ethylamino)ethanone is sourced from PubChem (CID 114668844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).