2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C13H19BrN6 — CID 114648082

IUPAC2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1cnccn1)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C13H19BrN6/c1-15-12(11-9-16-4-5-17-11)13-10(14)8-18-20(13)7-6-19(2)3/h4-5,8-9,12,15H,6-7H2,1-3H3
InChIKeyZYMIZPSVKOPTBO-UHFFFAOYSA-N
MW339.24 g/mol
LogP1.31
Rot. Bonds6

About 2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114648082) has the molecular formula C13H19BrN6 and a molecular weight of 339.24 g/mol. Its IUPAC name is 2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114648082
Molecular FormulaC13H19BrN6
Molecular Weight339.24 g/mol
Exact Mass338.09
IUPAC Name2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1cnccn1)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C13H19BrN6/c1-15-12(11-9-16-4-5-17-11)13-10(14)8-18-20(13)7-6-19(2)3/h4-5,8-9,12,15H,6-7H2,1-3H3
InChIKeyZYMIZPSVKOPTBO-UHFFFAOYSA-N
XLogP1.31
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114648076
2-[4-bromo-5-[methylamino-(3-methyl-2-pyridinyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114648991
2-[4-bromo-5-[methylamino-(4-methylphenyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114646966
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N,2-dimethylpropan-1-amine
CID 114647581
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-dimethoxy-N-methylethanamine
CID 114657541
2-[4-bromo-5-(methylaminomethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114652050
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105208582
2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105228636
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 114661716
2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336514
2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline
CID 105223775

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 114648082) is 2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CNC(c1cnccn1)c1c(Br)cnn1CCN(C)C.
What is the InChIKey of 2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is ZYMIZPSVKOPTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN6/c1-15-12(11-9-16-4-5-17-11)13-10(14)8-18-20(13)7-6-19(2)3/h4-5,8-9,12,15H,6-7H2,1-3H3.
What are the key properties of 2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 339.24 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114648082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).