2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one

C10H16BrN3O — CID 114668356

IUPAC2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)c1c(Br)cnn1C
InChIInChI=1S/C10H16BrN3O/c1-6(2)4-8(12)10(15)9-7(11)5-13-14(9)3/h5-6,8H,4,12H2,1-3H3
InChIKeyZDKKFYHSPAGNTD-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.74
Rot. Bonds4

About 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one

2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one (PubChem CID 114668356) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one
PubChem CID114668356
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)c1c(Br)cnn1C
InChIInChI=1S/C10H16BrN3O/c1-6(2)4-8(12)10(15)9-7(11)5-13-14(9)3/h5-6,8H,4,12H2,1-3H3
InChIKeyZDKKFYHSPAGNTD-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(4-bromo-1-methylpyrazol-5-yl)hexan-1-one
CID 114668548
1-(4-bromo-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 114639107
1-(4-bromo-1-methylpyrazol-5-yl)-2-(methylamino)propan-1-one
CID 114668964
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethanone
CID 114641403
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one
CID 114639523
4-bromo-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 19475064
1-(4-bromo-1-methylpyrazol-5-yl)-3,3-dimethylbutan-1-one
CID 114640173
1-(4-bromo-1-methylpyrazol-5-yl)-3-methyl-2-phenylpentan-1-one
CID 115814890
1-(4-bromo-1-methylpyrazol-5-yl)-3,4,4-trimethylpentan-1-one
CID 115814932
1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one
CID 105135356
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methoxybutan-1-one
CID 114669074
(1-aminocyclopentyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114668649

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one?
The IUPAC name of 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one (CID 114668356) is 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one is CC(C)CC(N)C(=O)c1c(Br)cnn1C.
What is the InChIKey of 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one?
The InChIKey is ZDKKFYHSPAGNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-6(2)4-8(12)10(15)9-7(11)5-13-14(9)3/h5-6,8H,4,12H2,1-3H3.
What are the key properties of 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one?
2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one has a molecular weight of 274.16 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-one is sourced from PubChem (CID 114668356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).