2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

C15H17N3S2 — CID 104626919

IUPAC2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCn1ccc(CCNCc2cc(-c3cccs3)cs2)n1
InChIInChI=1S/C15H17N3S2/c1-18-7-5-13(17-18)4-6-16-10-14-9-12(11-20-14)15-3-2-8-19-15/h2-3,5,7-9,11,16H,4,6,10H2,1H3
InChIKeyRAXOPQFQZDWQJA-UHFFFAOYSA-N
MW303.46 g/mol
LogP3.54
Rot. Bonds6

About 2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine

2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (PubChem CID 104626919) has the molecular formula C15H17N3S2 and a molecular weight of 303.46 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
PubChem CID104626919
Molecular FormulaC15H17N3S2
Molecular Weight303.46 g/mol
Exact Mass303.09
IUPAC Name2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
SMILESCn1ccc(CCNCc2cc(-c3cccs3)cs2)n1
InChIInChI=1S/C15H17N3S2/c1-18-7-5-13(17-18)4-6-16-10-14-9-12(11-20-14)15-3-2-8-19-15/h2-3,5,7-9,11,16H,4,6,10H2,1H3
InChIKeyRAXOPQFQZDWQJA-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine
CID 60809961
3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433717
6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol
CID 103924165
5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 107302865
3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433620
2-[2-(1-methylpyrazol-3-yl)ethylamino]-1-thiophen-2-ylethanol
CID 106104586
N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626797
1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
CID 43433741
2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 63450748
2,2-diethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 112727524
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-thiophen-2-ylthiophen-2-yl)methanamine
CID 103701941
3-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 106105555

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine (CID 104626919) is 2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is Cn1ccc(CCNCc2cc(-c3cccs3)cs2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
The InChIKey is RAXOPQFQZDWQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S2/c1-18-7-5-13(17-18)4-6-16-10-14-9-12(11-20-14)15-3-2-8-19-15/h2-3,5,7-9,11,16H,4,6,10H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine?
2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine has a molecular weight of 303.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 104626919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).