3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one

C8H11BrN4O — CID 131007203

IUPAC3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one
SMILESCn1cc(Br)c(CN2CC(N)C2=O)n1
InChIInChI=1S/C8H11BrN4O/c1-12-2-5(9)7(11-12)4-13-3-6(10)8(13)14/h2,6H,3-4,10H2,1H3
InChIKeyQGZOESHGMVHUQF-UHFFFAOYSA-N
MW259.11 g/mol
LogP-0.15
Rot. Bonds2

About 3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one

3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one (PubChem CID 131007203) has the molecular formula C8H11BrN4O and a molecular weight of 259.11 g/mol. Its IUPAC name is 3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one
PubChem CID131007203
Molecular FormulaC8H11BrN4O
Molecular Weight259.11 g/mol
Exact Mass258.01
IUPAC Name3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one
SMILESCn1cc(Br)c(CN2CC(N)C2=O)n1
InChIInChI=1S/C8H11BrN4O/c1-12-2-5(9)7(11-12)4-13-3-6(10)8(13)14/h2,6H,3-4,10H2,1H3
InChIKeyQGZOESHGMVHUQF-UHFFFAOYSA-N
XLogP-0.15
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one?
The IUPAC name of 3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one (CID 131007203) is 3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one.
What is the SMILES notation for 3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one?
The canonical SMILES for 3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one is Cn1cc(Br)c(CN2CC(N)C2=O)n1.
What is the InChIKey of 3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one?
The InChIKey is QGZOESHGMVHUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O/c1-12-2-5(9)7(11-12)4-13-3-6(10)8(13)14/h2,6H,3-4,10H2,1H3.
What are the key properties of 3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one?
3-amino-1-[(4-bromo-1-methylpyrazol-3-yl)methyl]azetidin-2-one has a molecular weight of 259.11 g/mol, XLogP of -0.15, 2 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-methylpyrazol-3-yl)methyl]azetidin-2-one is sourced from PubChem (CID 131007203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).