1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine

C15H16N4O — CID 106541702

IUPAC1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine
SMILESCOc1ccc2c(-n3nc(C)c(N)c3C)nccc2c1
InChIInChI=1S/C15H16N4O/c1-9-14(16)10(2)19(18-9)15-13-5-4-12(20-3)8-11(13)6-7-17-15/h4-8H,16H2,1-3H3
InChIKeySYSFWSVEEWHTIO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.63
Rot. Bonds2

About 1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine

1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine (PubChem CID 106541702) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine
PubChem CID106541702
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine
SMILESCOc1ccc2c(-n3nc(C)c(N)c3C)nccc2c1
InChIInChI=1S/C15H16N4O/c1-9-14(16)10(2)19(18-9)15-13-5-4-12(20-3)8-11(13)6-7-17-15/h4-8H,16H2,1-3H3
InChIKeySYSFWSVEEWHTIO-UHFFFAOYSA-N
XLogP2.63
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine
CID 106541738
1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine
CID 106541703
1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol
CID 106673213
1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline
CID 106543680
1-(4-ethylpiperazin-1-yl)-6-methoxyisoquinoline
CID 23155942
1-chloro-6-methoxyisoquinoline;ethane
CID 91465219
3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-amine
CID 62771650
2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline
CID 106540123
6-methoxyisoquinoline-1-carboximidamide
CID 82573378
1-(6-methoxyisoquinolin-1-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 106536199
1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine
CID 66320104
1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine
CID 39349758

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine (CID 106541702) is 1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine is COc1ccc2c(-n3nc(C)c(N)c3C)nccc2c1.
What is the InChIKey of 1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is SYSFWSVEEWHTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-14(16)10(2)19(18-9)15-13-5-4-12(20-3)8-11(13)6-7-17-15/h4-8H,16H2,1-3H3.
What are the key properties of 1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine?
1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 268.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 106541702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).