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

C16H19BrFN3 — CID 104994013

IUPAC1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1cccc(F)c1Br
InChIInChI=1S/C16H19BrFN3/c17-16-13(6-3-7-14(16)18)15(19)10-11-8-9-21(20-11)12-4-1-2-5-12/h3,6-9,12,15H,1-2,4-5,10,19H2
InChIKeyBDQUZQPTFMSWRW-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.14
Rot. Bonds4

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

1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine (PubChem CID 104994013) has the molecular formula C16H19BrFN3 and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
PubChem CID104994013
Molecular FormulaC16H19BrFN3
Molecular Weight352.25 g/mol
Exact Mass351.07
IUPAC Name1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1cccc(F)c1Br
InChIInChI=1S/C16H19BrFN3/c17-16-13(6-3-7-14(16)18)15(19)10-11-8-9-21(20-11)12-4-1-2-5-12/h3,6-9,12,15H,1-2,4-5,10,19H2
InChIKeyBDQUZQPTFMSWRW-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

Analyze 1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994021
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
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 66426264
1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993969
2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64785885
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine
CID 64784709
2-(1-cyclohexylpyrazol-3-yl)-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79706176
1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 104987894

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine (CID 104994013) is 1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine is NC(Cc1ccn(C2CCCC2)n1)c1cccc(F)c1Br.
What is the InChIKey of 1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The InChIKey is BDQUZQPTFMSWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3/c17-16-13(6-3-7-14(16)18)15(19)10-11-8-9-21(20-11)12-4-1-2-5-12/h3,6-9,12,15H,1-2,4-5,10,19H2.
What are the key properties of 1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
1-(2-bromo-3-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-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104994013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).