2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine

C13H19BrN6O — CID 103374066

IUPAC2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(C(N)c2c(Br)cnn2CCN(C)C)nn1
InChIInChI=1S/C13H19BrN6O/c1-19(2)6-7-20-13(9(14)8-16-20)12(15)10-4-5-11(21-3)18-17-10/h4-5,8,12H,6-7,15H2,1-3H3
InChIKeyNTSUABIBSXNKNG-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.05
Rot. Bonds6

About 2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine

2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 103374066) has the molecular formula C13H19BrN6O and a molecular weight of 355.24 g/mol. Its IUPAC name is 2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID103374066
Molecular FormulaC13H19BrN6O
Molecular Weight355.24 g/mol
Exact Mass354.08
IUPAC Name2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(C(N)c2c(Br)cnn2CCN(C)C)nn1
InChIInChI=1S/C13H19BrN6O/c1-19(2)6-7-20-13(9(14)8-16-20)12(15)10-4-5-11(21-3)18-17-10/h4-5,8,12H,6-7,15H2,1-3H3
InChIKeyNTSUABIBSXNKNG-UHFFFAOYSA-N
XLogP1.05
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 103374002
(4-bromo-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methanamine
CID 103374008
2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646010
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(6-methoxypyridazin-3-yl)methanol
CID 103373434
2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041131
2-[5-[amino-(2-chlorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114649288
2-[5-[amino-(3-bromo-2-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 107953684
2-[5-[amino-(2-bromo-4-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041093
2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646291
2-[5-[amino-(3-chlorothiophen-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041078
2-[5-[amino-(2-fluoro-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105040981
2-[5-[amino-(4-chloro-3-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041034

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine (CID 103374066) is 2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine is COc1ccc(C(N)c2c(Br)cnn2CCN(C)C)nn1.
What is the InChIKey of 2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is NTSUABIBSXNKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN6O/c1-19(2)6-7-20-13(9(14)8-16-20)12(15)10-4-5-11(21-3)18-17-10/h4-5,8,12H,6-7,15H2,1-3H3.
What are the key properties of 2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 355.24 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 103374066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).