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

C14H22N6O — CID 114648076

IUPAC2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1cnccn1)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C14H22N6O/c1-15-13(11-9-16-5-6-17-11)14-12(21-4)10-18-20(14)8-7-19(2)3/h5-6,9-10,13,15H,7-8H2,1-4H3
InChIKeyZDQNSHSZZVHOFK-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.55
Rot. Bonds7

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

2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114648076) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114648076
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCNC(c1cnccn1)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C14H22N6O/c1-15-13(11-9-16-5-6-17-11)14-12(21-4)10-18-20(14)8-7-19(2)3/h5-6,9-10,13,15H,7-8H2,1-4H3
InChIKeyZDQNSHSZZVHOFK-UHFFFAOYSA-N
XLogP0.55
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114648082
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 114648075
2-[5-[furan-2-yl(methylamino)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114649704
2-[4-methoxy-5-[methylamino-(4-methylthiophen-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658403
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine
CID 114651696
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 114651811
2-[5-[ethylamino(1,3-thiazol-4-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114658733
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol
CID 114643046
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylpentan-1-amine
CID 105039863
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114653881
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine
CID 114649780

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 114648076) is 2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CNC(c1cnccn1)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is ZDQNSHSZZVHOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-15-13(11-9-16-5-6-17-11)14-12(21-4)10-18-20(14)8-7-19(2)3/h5-6,9-10,13,15H,7-8H2,1-4H3.
What are the key properties of 2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 290.37 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114648076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).