3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one

C11H18BrN3O — CID 114671080

IUPAC3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one
SMILESCCCn1ncc(Br)c1C(=O)CC(N)CC
InChIInChI=1S/C11H18BrN3O/c1-3-5-15-11(9(12)7-14-15)10(16)6-8(13)4-2/h7-8H,3-6,13H2,1-2H3
InChIKeyWOHVUKQBOQEKQH-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.37
Rot. Bonds6

About 3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one

3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one (PubChem CID 114671080) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one
PubChem CID114671080
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one
SMILESCCCn1ncc(Br)c1C(=O)CC(N)CC
InChIInChI=1S/C11H18BrN3O/c1-3-5-15-11(9(12)7-14-15)10(16)6-8(13)4-2/h7-8H,3-6,13H2,1-2H3
InChIKeyWOHVUKQBOQEKQH-UHFFFAOYSA-N
XLogP2.37
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-one
CID 114671089
1-(4-bromo-1-propylpyrazol-5-yl)-2-(dimethylamino)ethanone
CID 114641322
1-(4-bromo-1-propylpyrazol-5-yl)but-3-en-1-one
CID 114642443
1-(4-bromo-1-propylpyrazol-5-yl)-2-(ethylamino)ethanone
CID 114668844
6-amino-1-(4-bromo-1-propylpyrazol-5-yl)-4-methylhexan-1-one
CID 114669755
3-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butan-1-one
CID 114668511
(E)-1-(4-bromo-1-propylpyrazol-5-yl)but-2-en-1-one
CID 103453393
1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543836
2-(4-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114638949
1-(4-bromo-1-propylpyrazol-5-yl)-3-(tert-butylamino)propan-1-one
CID 114668606
2-(4-bromophenyl)sulfanyl-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114640903
1-(4-bromo-1-propylpyrazol-5-yl)-3-methylbut-2-en-1-one
CID 103455565

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one?
The IUPAC name of 3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one (CID 114671080) is 3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one.
What is the SMILES notation for 3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one?
The canonical SMILES for 3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one is CCCn1ncc(Br)c1C(=O)CC(N)CC.
What is the InChIKey of 3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one?
The InChIKey is WOHVUKQBOQEKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-3-5-15-11(9(12)7-14-15)10(16)6-8(13)4-2/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one?
3-amino-1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-one has a molecular weight of 288.19 g/mol, XLogP of 2.37, 6 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-propylpyrazol-5-yl)pentan-1-one is sourced from PubChem (CID 114671080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).