3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one

C10H16BrN3O — CID 114671231

IUPAC3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
SMILESCCn1ncc(Br)c1C(=O)C(C)C(C)N
InChIInChI=1S/C10H16BrN3O/c1-4-14-9(8(11)5-13-14)10(15)6(2)7(3)12/h5-7H,4,12H2,1-3H3
InChIKeyYPPKUUQFQBPENR-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.83
Rot. Bonds4

About 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one

3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one (PubChem CID 114671231) 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)-2-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
PubChem CID114671231
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one
SMILESCCn1ncc(Br)c1C(=O)C(C)C(C)N
InChIInChI=1S/C10H16BrN3O/c1-4-14-9(8(11)5-13-14)10(15)6(2)7(3)12/h5-7H,4,12H2,1-3H3
InChIKeyYPPKUUQFQBPENR-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one
CID 114640288
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669734
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one
CID 114668272
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
CID 114639502
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 107996691
(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-2-ylmethanone
CID 114639327
1-(4-bromo-1-ethylpyrazol-5-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446694
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methanone
CID 115803500
[4-(aminomethyl)phenyl]-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114668071
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-one
CID 114668433
3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 115803497

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one?
The IUPAC name of 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one (CID 114671231) is 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one is CCn1ncc(Br)c1C(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one?
The InChIKey is YPPKUUQFQBPENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-14-9(8(11)5-13-14)10(15)6(2)7(3)12/h5-7H,4,12H2,1-3H3.
What are the key properties of 3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one?
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-2-methylbutan-1-one has a molecular weight of 274.16 g/mol, XLogP of 1.83, 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)-2-methylbutan-1-one is sourced from PubChem (CID 114671231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).