1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine

C16H19BrFN3 — CID 66426264

IUPAC1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H19BrFN3/c17-12-7-11(8-13(18)9-12)16(19)10-14-5-6-21(20-14)15-3-1-2-4-15/h5-9,15-16H,1-4,10,19H2
InChIKeyXERYLOKBVKTNOR-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.14
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine

1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine (PubChem CID 66426264) has the molecular formula C16H19BrFN3 and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
PubChem CID66426264
Molecular FormulaC16H19BrFN3
Molecular Weight352.25 g/mol
Exact Mass351.07
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1cc(F)cc(Br)c1
InChIInChI=1S/C16H19BrFN3/c17-12-7-11(8-13(18)9-12)16(19)10-14-5-6-21(20-14)15-3-1-2-4-15/h5-9,15-16H,1-4,10,19H2
InChIKeyXERYLOKBVKTNOR-UHFFFAOYSA-N
XLogP4.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 66425230
1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 64784343
2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
CID 64785678
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64785885
1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993935
1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 64777846
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
2-(1-cyclopentylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)ethanamine
CID 104994002
1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104994013
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483
2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79706176

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine (CID 66426264) is 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine is NC(Cc1ccn(C2CCCC2)n1)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The InChIKey is XERYLOKBVKTNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3/c17-12-7-11(8-13(18)9-12)16(19)10-14-5-6-21(20-14)15-3-1-2-4-15/h5-9,15-16H,1-4,10,19H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine has a molecular weight of 352.25 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 66426264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).