1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine

C16H20BrN3 — CID 64784343

IUPAC1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1cccc(Br)c1
InChIInChI=1S/C16H20BrN3/c17-13-5-3-4-12(10-13)16(18)11-14-8-9-20(19-14)15-6-1-2-7-15/h3-5,8-10,15-16H,1-2,6-7,11,18H2
InChIKeyRZUXVTYMTGPJOI-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.00
Rot. Bonds4

About 1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine

1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine (PubChem CID 64784343) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
PubChem CID64784343
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCC2)n1)c1cccc(Br)c1
InChIInChI=1S/C16H20BrN3/c17-13-5-3-4-12(10-13)16(18)11-14-8-9-20(19-14)15-6-1-2-7-15/h3-5,8-10,15-16H,1-2,6-7,11,18H2
InChIKeyRZUXVTYMTGPJOI-UHFFFAOYSA-N
XLogP4.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-(3-methylphenyl)ethanamine
CID 64784709
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
CID 64785678
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 66426264
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
1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104994013
2-(1-cyclopentylpyrazol-3-yl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64785885
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483
1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993969
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994021

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine (CID 64784343) is 1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine is NC(Cc1ccn(C2CCCC2)n1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
The InChIKey is RZUXVTYMTGPJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c17-13-5-3-4-12(10-13)16(18)11-14-8-9-20(19-14)15-6-1-2-7-15/h3-5,8-10,15-16H,1-2,6-7,11,18H2.
What are the key properties of 1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine?
1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 64784343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).