2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine

C12H16N4O — CID 103131183

IUPAC2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCOc1ccc(CC(N)c2ccn(C)n2)cn1
InChIInChI=1S/C12H16N4O/c1-16-6-5-11(15-16)10(13)7-9-3-4-12(17-2)14-8-9/h3-6,8,10H,7,13H2,1-2H3
InChIKeyWJLOJWZYMHGSFB-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.07
Rot. Bonds4

About 2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine

2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 103131183) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID103131183
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCOc1ccc(CC(N)c2ccn(C)n2)cn1
InChIInChI=1S/C12H16N4O/c1-16-6-5-11(15-16)10(13)7-9-3-4-12(17-2)14-8-9/h3-6,8,10H,7,13H2,1-2H3
InChIKeyWJLOJWZYMHGSFB-UHFFFAOYSA-N
XLogP1.07
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxy-3-pyridinyl)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82870030
2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200453
1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 65200458
(2S)-1-(6-methoxy-3-pyridinyl)pentan-2-amine
CID 104932333
2-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 79760474
2-(5-bromo-2-methoxyphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200515
[1-(6-methoxy-3-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105250512
2-(6-methoxy-3-pyridinyl)-1-quinolin-5-ylethanamine
CID 81229719
(2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride
CID 155905387
methyl 2-chloro-3-(6-methoxy-3-pyridinyl)propanoate
CID 14444193
1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 102950597
6,6,6-trifluoro-1-(6-methoxy-3-pyridinyl)hexan-2-amine
CID 115517420

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine (CID 103131183) is 2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine is COc1ccc(CC(N)c2ccn(C)n2)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is WJLOJWZYMHGSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-6-5-11(15-16)10(13)7-9-3-4-12(17-2)14-8-9/h3-6,8,10H,7,13H2,1-2H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine?
2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 103131183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).