2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine

C12H17N3OS — CID 104996409

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCOc1csc(C(N)Cc2cc(C)nn2C)c1
InChIInChI=1S/C12H17N3OS/c1-8-4-9(15(2)14-8)5-11(13)12-6-10(16-3)7-17-12/h4,6-7,11H,5,13H2,1-3H3
InChIKeyKARNXVJDVULIEX-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.04
Rot. Bonds4

About 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine (PubChem CID 104996409) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine
PubChem CID104996409
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine
SMILESCOc1csc(C(N)Cc2cc(C)nn2C)c1
InChIInChI=1S/C12H17N3OS/c1-8-4-9(15(2)14-8)5-11(13)12-6-10(16-3)7-17-12/h4,6-7,11H,5,13H2,1-3H3
InChIKeyKARNXVJDVULIEX-UHFFFAOYSA-N
XLogP2.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81304825
1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829185
1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996048
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105024721
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122039
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105016072
1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 115832999
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107975911
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105158663
1-(4-methoxythiophen-2-yl)octan-1-amine
CID 115832439
2-(5-ethyl-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105014765

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine (CID 104996409) is 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine is COc1csc(C(N)Cc2cc(C)nn2C)c1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine?
The InChIKey is KARNXVJDVULIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8-4-9(15(2)14-8)5-11(13)12-6-10(16-3)7-17-12/h4,6-7,11H,5,13H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine has a molecular weight of 251.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine is sourced from PubChem (CID 104996409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).