3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one

C10H16BrN3O — CID 114669734

IUPAC3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one
SMILESCCn1ncc(Br)c1C(=O)CC(C)(C)N
InChIInChI=1S/C10H16BrN3O/c1-4-14-9(7(11)6-13-14)8(15)5-10(2,3)12/h6H,4-5,12H2,1-3H3
InChIKeyTXEVAWFLKNLBOO-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.98
Rot. Bonds4

About 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one

3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one (PubChem CID 114669734) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one
PubChem CID114669734
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one
SMILESCCn1ncc(Br)c1C(=O)CC(C)(C)N
InChIInChI=1S/C10H16BrN3O/c1-4-14-9(7(11)6-13-14)8(15)5-10(2,3)12/h6H,4-5,12H2,1-3H3
InChIKeyTXEVAWFLKNLBOO-UHFFFAOYSA-N
XLogP1.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one 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-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-one
CID 103023528
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
CID 114639502
1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446694
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutan-1-one
CID 114640394
(4-bromo-1-ethylpyrazol-5-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105130217
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543833
1-(4-bromo-1-ethylpyrazol-5-yl)-3-cyclohexylpropan-1-one
CID 115803375
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
CID 114671231
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
1-(4-bromo-1-methylpyrazol-5-yl)-3,3-dimethylbutan-1-one
CID 114640173
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one?
The IUPAC name of 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one (CID 114669734) is 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one is CCn1ncc(Br)c1C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one?
The InChIKey is TXEVAWFLKNLBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-14-9(7(11)6-13-14)8(15)5-10(2,3)12/h6H,4-5,12H2,1-3H3.
What are the key properties of 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one?
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one has a molecular weight of 274.16 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one is sourced from PubChem (CID 114669734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).