2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine

C11H15N3OS — CID 11557733

IUPAC2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
SMILESCn1nccc1C(OCCN)c1cccs1
InChIInChI=1S/C11H15N3OS/c1-14-9(4-6-13-14)11(15-7-5-12)10-3-2-8-16-10/h2-4,6,8,11H,5,7,12H2,1H3
InChIKeyJNPYEXREVCHLAR-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.55
Rot. Bonds5

About 2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine

2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine (PubChem CID 11557733) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
PubChem CID11557733
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
SMILESCn1nccc1C(OCCN)c1cccs1
InChIInChI=1S/C11H15N3OS/c1-14-9(4-6-13-14)11(15-7-5-12)10-3-2-8-16-10/h2-4,6,8,11H,5,7,12H2,1H3
InChIKeyJNPYEXREVCHLAR-UHFFFAOYSA-N
XLogP1.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dilopetine
CID 9816767
N-methyl-N-[2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethyl]-2-phenylethanamine
CID 121429654
N-benzyl-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
CID 121429757
Dilopetine, (S)-
CID 9813942
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
CID 121417924
1-(3-fluorophenyl)-N-methyl-3-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]propan-2-amine
CID 121417956
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
CID 121429613
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine
CID 121429657
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
CID 132016742
N-[(3-fluorophenyl)methyl]-N-methyl-2-[[3-(2-methylpyrazol-3-yl)thiophen-2-yl]methoxy]ethanamine
CID 132016748
N-[(4-fluorophenyl)methyl]-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
CID 137466355
Dilopetine, (R)-
CID 9900003

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine (CID 11557733) is 2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine is Cn1nccc1C(OCCN)c1cccs1.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine?
The InChIKey is JNPYEXREVCHLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-14-9(4-6-13-14)11(15-7-5-12)10-3-2-8-16-10/h2-4,6,8,11H,5,7,12H2,1H3.
What are the key properties of 2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine?
2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine has a molecular weight of 237.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine is sourced from PubChem (CID 11557733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).