1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

C15H22BrN3S — CID 105155766

IUPAC1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)c2csc(Br)c2)n1
InChIInChI=1S/C15H22BrN3S/c1-4-13(5-2)19-7-6-12(18-19)9-14(17-3)11-8-15(16)20-10-11/h6-8,10,13-14,17H,4-5,9H2,1-3H3
InChIKeyOTTIYTNYFKFTQO-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.57
Rot. Bonds7

About 1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (PubChem CID 105155766) has the molecular formula C15H22BrN3S and a molecular weight of 356.33 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
PubChem CID105155766
Molecular FormulaC15H22BrN3S
Molecular Weight356.33 g/mol
Exact Mass355.07
IUPAC Name1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)c2csc(Br)c2)n1
InChIInChI=1S/C15H22BrN3S/c1-4-13(5-2)19-7-6-12(18-19)9-14(17-3)11-8-15(16)20-10-11/h6-8,10,13-14,17H,4-5,9H2,1-3H3
InChIKeyOTTIYTNYFKFTQO-UHFFFAOYSA-N
XLogP4.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-bromothiophen-3-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312620
1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64785500
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991693
1-(3-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64785502
1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991694
1-(3-chlorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64783752
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 107968418
1-(4-bromophenyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771366
1-(5-bromothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103317
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-pyrimidin-4-ylethanamine
CID 64778037
1-(2-chlorofuran-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 106692263
1-(3-bromo-5-fluorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 66425234

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (CID 105155766) is 1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is CCC(CC)n1ccc(CC(NC)c2csc(Br)c2)n1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The InChIKey is OTTIYTNYFKFTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3S/c1-4-13(5-2)19-7-6-12(18-19)9-14(17-3)11-8-15(16)20-10-11/h6-8,10,13-14,17H,4-5,9H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine has a molecular weight of 356.33 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105155766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).