2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine

C11H14BrN3S — CID 106047077

IUPAC2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESBrc1ccc(CCNCCn2cccn2)s1
InChIInChI=1S/C11H14BrN3S/c12-11-3-2-10(16-11)4-6-13-7-9-15-8-1-5-14-15/h1-3,5,8,13H,4,6-7,9H2
InChIKeyMHCRNWADRXGZHL-UHFFFAOYSA-N
MW300.22 g/mol
LogP2.54
Rot. Bonds6

About 2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine

2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 106047077) has the molecular formula C11H14BrN3S and a molecular weight of 300.22 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
PubChem CID106047077
Molecular FormulaC11H14BrN3S
Molecular Weight300.22 g/mol
Exact Mass299.01
IUPAC Name2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESBrc1ccc(CCNCCn2cccn2)s1
InChIInChI=1S/C11H14BrN3S/c12-11-3-2-10(16-11)4-6-13-7-9-15-8-1-5-14-15/h1-3,5,8,13H,4,6-7,9H2
InChIKeyMHCRNWADRXGZHL-UHFFFAOYSA-N
XLogP2.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106047111
N-[2-(5-bromothiophen-2-yl)ethyl]but-3-en-1-amine
CID 106046795
5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 55139382
N-(2-phenylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 112684820
N-[2-(5-bromothiophen-2-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 114140447
N-[(5-tert-butylthiophen-2-yl)methyl]-2-pyrazol-1-ylethanamine
CID 81497600
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 103913849
N-(2-iodoethyl)-2-pyrazol-1-ylethanamine
CID 114505529
2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 79003445
2-(5-bromothiophen-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 106047165
N-[(5-bromothiophen-2-yl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61012027
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine (CID 106047077) is 2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine is Brc1ccc(CCNCCn2cccn2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is MHCRNWADRXGZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c12-11-3-2-10(16-11)4-6-13-7-9-15-8-1-5-14-15/h1-3,5,8,13H,4,6-7,9H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine?
2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 300.22 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-(2-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 106047077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).