2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

C13H19BrN4OS — CID 105182790

IUPAC2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cnn(CCN(C)C)c1C(N)c1csc(Br)c1
InChIInChI=1S/C13H19BrN4OS/c1-17(2)4-5-18-13(10(19-3)7-16-18)12(15)9-6-11(14)20-8-9/h6-8,12H,4-5,15H2,1-3H3
InChIKeyZTYJVUTZSBEULU-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.33
Rot. Bonds6

About 2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105182790) has the molecular formula C13H19BrN4OS and a molecular weight of 359.29 g/mol. Its IUPAC name is 2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105182790
Molecular FormulaC13H19BrN4OS
Molecular Weight359.29 g/mol
Exact Mass358.05
IUPAC Name2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1cnn(CCN(C)C)c1C(N)c1csc(Br)c1
InChIInChI=1S/C13H19BrN4OS/c1-17(2)4-5-18-13(10(19-3)7-16-18)12(15)9-6-11(14)20-8-9/h6-8,12H,4-5,15H2,1-3H3
InChIKeyZTYJVUTZSBEULU-UHFFFAOYSA-N
XLogP2.33
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
(4-bromothiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 114643699
2-[5-[amino-(3-ethylthiophen-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105039846
2-[5-[amino-(2-bromofuran-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 106858616
2-[5-[amino-(5-methylfuran-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105039854
2-[5-[amino-(1-methylimidazol-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114659273
2-[5-[amino-(3-methyl-2-pyridinyl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114648971
2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646010
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-thiophen-2-ylethanamine
CID 114649419
(5-bromo-4-methylthiophen-2-yl)-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 115834677
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114658293

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (CID 105182790) is 2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is COc1cnn(CCN(C)C)c1C(N)c1csc(Br)c1.
What is the InChIKey of 2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is ZTYJVUTZSBEULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4OS/c1-17(2)4-5-18-13(10(19-3)7-16-18)12(15)9-6-11(14)20-8-9/h6-8,12H,4-5,15H2,1-3H3.
What are the key properties of 2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 359.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105182790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).