1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine

C13H22BrN3 — CID 105042259

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine
SMILESCC(C)n1ncc(Br)c1C(N)CC1CCCC1
InChIInChI=1S/C13H22BrN3/c1-9(2)17-13(11(14)8-16-17)12(15)7-10-5-3-4-6-10/h8-10,12H,3-7,15H2,1-2H3
InChIKeyUIESLAKWROYAAG-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.81
Rot. Bonds4

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine (PubChem CID 105042259) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine
PubChem CID105042259
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine
SMILESCC(C)n1ncc(Br)c1C(N)CC1CCCC1
InChIInChI=1S/C13H22BrN3/c1-9(2)17-13(11(14)8-16-17)12(15)7-10-5-3-4-6-10/h8-10,12H,3-7,15H2,1-2H3
InChIKeyUIESLAKWROYAAG-UHFFFAOYSA-N
XLogP3.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol
CID 115835453
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 114659608
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
CID 114653629
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191008
6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 115835341
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 114655618
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine
CID 114657126
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105042004
[3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336967
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 105042339
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 114660447

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine (CID 105042259) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine is CC(C)n1ncc(Br)c1C(N)CC1CCCC1.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine?
The InChIKey is UIESLAKWROYAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-9(2)17-13(11(14)8-16-17)12(15)7-10-5-3-4-6-10/h8-10,12H,3-7,15H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine has a molecular weight of 300.24 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine is sourced from PubChem (CID 105042259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).