1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine

C10H12BrN3S — CID 115821985

IUPAC1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2sccc2Br)cn1
InChIInChI=1S/C10H12BrN3S/c1-14-6-7(5-13-14)4-9(12)10-8(11)2-3-15-10/h2-3,5-6,9H,4,12H2,1H3
InChIKeyMNZHXTOUJCLYQP-UHFFFAOYSA-N
MW286.20 g/mol
LogP2.49
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine

1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 115821985) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID115821985
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC Name1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)c2sccc2Br)cn1
InChIInChI=1S/C10H12BrN3S/c1-14-6-7(5-13-14)4-9(12)10-8(11)2-3-15-10/h2-3,5-6,9H,4,12H2,1H3
InChIKeyMNZHXTOUJCLYQP-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine
CID 62127678
1-(3-bromothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063974
2-(3-bromothiophen-2-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 65195436
1-(2,5-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822012
1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 63798481
1-(4-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126436
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125918
1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821386
N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
CID 43776723
1-(3-bromothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002274
2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923318
1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine
CID 63797585

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine (CID 115821985) is 1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(CC(N)c2sccc2Br)cn1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is MNZHXTOUJCLYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-14-6-7(5-13-14)4-9(12)10-8(11)2-3-15-10/h2-3,5-6,9H,4,12H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine?
1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 286.20 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115821985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).