2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine

C13H18BrN3OS — CID 172824361

IUPAC2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccn(C)n1)c1ccc(Br)s1
InChIInChI=1S/C13H18BrN3OS/c1-16(2)8-9-18-13(10-6-7-17(3)15-10)11-4-5-12(14)19-11/h4-7,13H,8-9H2,1-3H3
InChIKeyUQVAMMGKMAMIBR-UHFFFAOYSA-N
MW344.28 g/mol
LogP2.91
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine

2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine (PubChem CID 172824361) has the molecular formula C13H18BrN3OS and a molecular weight of 344.28 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine
PubChem CID172824361
Molecular FormulaC13H18BrN3OS
Molecular Weight344.28 g/mol
Exact Mass343.04
IUPAC Name2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOC(c1ccn(C)n1)c1ccc(Br)s1
InChIInChI=1S/C13H18BrN3OS/c1-16(2)8-9-18-13(10-6-7-17(3)15-10)11-4-5-12(14)19-11/h4-7,13H,8-9H2,1-3H3
InChIKeyUQVAMMGKMAMIBR-UHFFFAOYSA-N
XLogP2.91
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
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
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
Dilopetine, (R)-
CID 9900003
N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-thiophen-3-ylmethoxy]ethanamine
CID 9795298
N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methoxy]ethanamine
CID 9795670
2-[(5-bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine
CID 9798196

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine (CID 172824361) is 2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine is CN(C)CCOC(c1ccn(C)n1)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine?
The InChIKey is UQVAMMGKMAMIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3OS/c1-16(2)8-9-18-13(10-6-7-17(3)15-10)11-4-5-12(14)19-11/h4-7,13H,8-9H2,1-3H3.
What are the key properties of 2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine?
2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine has a molecular weight of 344.28 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 172824361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).