1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine

C11H18BrN3 — CID 105054241

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
SMILESCn1ncc(Br)c1C(N)CC1CCCC1
InChIInChI=1S/C11H18BrN3/c1-15-11(9(12)7-14-15)10(13)6-8-4-2-3-5-8/h7-8,10H,2-6,13H2,1H3
InChIKeyJFFKRXVGMMUDEO-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.76
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine

1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine (PubChem CID 105054241) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
PubChem CID105054241
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
SMILESCn1ncc(Br)c1C(N)CC1CCCC1
InChIInChI=1S/C11H18BrN3/c1-15-11(9(12)7-14-15)10(13)6-8-4-2-3-5-8/h7-8,10H,2-6,13H2,1H3
InChIKeyJFFKRXVGMMUDEO-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105042259
(4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine
CID 114646840
2-cyclopropyl-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 130527432
1-(5-bromo-3-methyltriazol-4-yl)-2-cycloheptylethanamine
CID 106464672
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine
CID 106464757
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648705
3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586350
(3R)-3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586349
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114659465
(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191459
4-bromo-5-(cyclopentylmethyl)-1-methylpyrazole
CID 175049382
2-cyclohexyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858431

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine (CID 105054241) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine is Cn1ncc(Br)c1C(N)CC1CCCC1.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine?
The InChIKey is JFFKRXVGMMUDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-15-11(9(12)7-14-15)10(13)6-8-4-2-3-5-8/h7-8,10H,2-6,13H2,1H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine?
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine has a molecular weight of 272.19 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine is sourced from PubChem (CID 105054241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).