2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one

C9H14BrN3O2 — CID 114668272

IUPAC2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one
SMILESCOCCn1ncc(Br)c1C(=O)C(C)N
InChIInChI=1S/C9H14BrN3O2/c1-6(11)9(14)8-7(10)5-12-13(8)3-4-15-2/h5-6H,3-4,11H2,1-2H3
InChIKeyQUUYILWHZUFUGN-UHFFFAOYSA-N
MW276.13 g/mol
LogP0.82
Rot. Bonds5

About 2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one

2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one (PubChem CID 114668272) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one
PubChem CID114668272
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one
SMILESCOCCn1ncc(Br)c1C(=O)C(C)N
InChIInChI=1S/C9H14BrN3O2/c1-6(11)9(14)8-7(10)5-12-13(8)3-4-15-2/h5-6H,3-4,11H2,1-2H3
InChIKeyQUUYILWHZUFUGN-UHFFFAOYSA-N
XLogP0.82
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-one
CID 114668433
3-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butan-1-one
CID 114668511
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-4-en-1-one
CID 114670989
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-3-methylbutan-1-one
CID 114642571
3-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-one
CID 114671089
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropyl-2-hydroxyethanone
CID 103455751
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropyl-2-methoxyethanone
CID 114642587
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-one
CID 114668734
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethylpropan-1-one
CID 114639308
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethylbutan-1-one
CID 115806154
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 114640744
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3,5,5-trimethylhexan-1-one
CID 115805963

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one?
The IUPAC name of 2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one (CID 114668272) is 2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one is COCCn1ncc(Br)c1C(=O)C(C)N.
What is the InChIKey of 2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one?
The InChIKey is QUUYILWHZUFUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-6(11)9(14)8-7(10)5-12-13(8)3-4-15-2/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one?
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one has a molecular weight of 276.13 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]propan-1-one is sourced from PubChem (CID 114668272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).