1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

C11H14BrN3S — CID 107167308

IUPAC1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnn(C)c1)c1cc(Br)cs1
InChIInChI=1S/C11H14BrN3S/c1-8(11-3-10(12)7-16-11)13-4-9-5-14-15(2)6-9/h3,5-8,13H,4H2,1-2H3
InChIKeyQZZUFJHFNITATA-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.09
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 107167308) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID107167308
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC Name1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnn(C)c1)c1cc(Br)cs1
InChIInChI=1S/C11H14BrN3S/c1-8(11-3-10(12)7-16-11)13-4-9-5-14-15(2)6-9/h3,5-8,13H,4H2,1-2H3
InChIKeyQZZUFJHFNITATA-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 107167630
1-(4-bromothiophen-2-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 107167550
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 61349253
1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107354447
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 107167179
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43224040
1-(4-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438454
1-(4-bromo-2-nitrophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 166390830
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
1-(4-bromothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 107167418

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (CID 107167308) is 1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is CC(NCc1cnn(C)c1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is QZZUFJHFNITATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-8(11-3-10(12)7-16-11)13-4-9-5-14-15(2)6-9/h3,5-8,13H,4H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 300.23 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 107167308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).