2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine

C10H13N3S — CID 62127678

IUPAC2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine
SMILESCn1cc(CC(N)c2cccs2)cn1
InChIInChI=1S/C10H13N3S/c1-13-7-8(6-12-13)5-9(11)10-3-2-4-14-10/h2-4,6-7,9H,5,11H2,1H3
InChIKeyAZLLFDDWTWGNOG-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.72
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine

2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine (PubChem CID 62127678) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine
PubChem CID62127678
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine
SMILESCn1cc(CC(N)c2cccs2)cn1
InChIInChI=1S/C10H13N3S/c1-13-7-8(6-12-13)5-9(11)10-3-2-4-14-10/h2-4,6-7,9H,5,11H2,1H3
InChIKeyAZLLFDDWTWGNOG-UHFFFAOYSA-N
XLogP1.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821386
1-(3-bromothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821985
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125918
1-(2-iodophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821792
2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923318
2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877993
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740523
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114026
1-(5-methylpyrazin-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114103
2-(1-methylpyrazol-4-yl)-1-quinolin-4-ylethanamine
CID 105114119
2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989977
1-(3,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126805

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine (CID 62127678) is 2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine is Cn1cc(CC(N)c2cccs2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine?
The InChIKey is AZLLFDDWTWGNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-13-7-8(6-12-13)5-9(11)10-3-2-4-14-10/h2-4,6-7,9H,5,11H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine?
2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine has a molecular weight of 207.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 62127678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).