1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine

C14H14N4O — CID 106541738

IUPAC1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine
SMILESCOc1ccc2c(-n3cc(C)c(N)n3)nccc2c1
InChIInChI=1S/C14H14N4O/c1-9-8-18(17-13(9)15)14-12-4-3-11(19-2)7-10(12)5-6-16-14/h3-8H,1-2H3,(H2,15,17)
InChIKeyDUWKBRMTVANDJP-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.32
Rot. Bonds2

About 1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine

1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine (PubChem CID 106541738) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine
PubChem CID106541738
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine
SMILESCOc1ccc2c(-n3cc(C)c(N)n3)nccc2c1
InChIInChI=1S/C14H14N4O/c1-9-8-18(17-13(9)15)14-12-4-3-11(19-2)7-10(12)5-6-16-14/h3-8H,1-2H3,(H2,15,17)
InChIKeyDUWKBRMTVANDJP-UHFFFAOYSA-N
XLogP2.32
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxyisoquinolin-1-yl)-3,5-dimethylpyrazol-4-amine
CID 106541702
1-furo[3,2-c]pyridin-4-yl-4-methylpyrazol-3-amine
CID 106535479
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
4-methyl-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrazol-3-amine
CID 103386201
4-(3-amino-4-methylpyrazol-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979982
1-chloro-6-methoxyisoquinoline;ethane
CID 91465219
2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline
CID 106540123
7-methoxy-4-methylquinolin-2-amine
CID 53485904
2-(6-methoxyisoquinolin-1-yl)propan-2-ol
CID 116995429
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine?
The IUPAC name of 1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine (CID 106541738) is 1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine?
The canonical SMILES for 1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine is COc1ccc2c(-n3cc(C)c(N)n3)nccc2c1.
What is the InChIKey of 1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine?
The InChIKey is DUWKBRMTVANDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-8-18(17-13(9)15)14-12-4-3-11(19-2)7-10(12)5-6-16-14/h3-8H,1-2H3,(H2,15,17).
What are the key properties of 1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine?
1-(6-methoxyisoquinolin-1-yl)-4-methylpyrazol-3-amine has a molecular weight of 254.29 g/mol, XLogP of 2.32, 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)-4-methylpyrazol-3-amine is sourced from PubChem (CID 106541738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).