2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine

C12H17N3S — CID 62127681

IUPAC2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine
SMILESCCn1cc(CC(NC)c2cccs2)cn1
InChIInChI=1S/C12H17N3S/c1-3-15-9-10(8-14-15)7-11(13-2)12-5-4-6-16-12/h4-6,8-9,11,13H,3,7H2,1-2H3
InChIKeyJEXLQSCKGWEWIR-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.47
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine

2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 62127681) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine
PubChem CID62127681
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine
SMILESCCn1cc(CC(NC)c2cccs2)cn1
InChIInChI=1S/C12H17N3S/c1-3-15-9-10(8-14-15)7-11(13-2)12-5-4-6-16-12/h4-6,8-9,11,13H,3,7H2,1-2H3
InChIKeyJEXLQSCKGWEWIR-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 55041100
N-methyl-2-pyridin-4-yl-1-thiophen-2-ylethanamine
CID 62552109
1-(4-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822526
1-(1-benzofuran-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 63091310
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105114391
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822265
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822839
1-(4-bromo-2-chlorophenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822078
1-(2-bromo-3,4-difluorophenyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 107539079
[1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291375
2-[4-[(1-thiophen-2-ylbutylamino)methyl]pyrazol-1-yl]ethanol
CID 64830398
N-[2-(1-ethylpyrazol-4-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62126619

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine (CID 62127681) is 2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine is CCn1cc(CC(NC)c2cccs2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is JEXLQSCKGWEWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-15-9-10(8-14-15)7-11(13-2)12-5-4-6-16-12/h4-6,8-9,11,13H,3,7H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine?
2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 62127681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).