5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine

C17H17FN4 — CID 53497554

IUPAC5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
SMILESCc1ccc(F)cc1-c1nc2n[nH]c(N)c2c2c1CCCC2
InChIInChI=1S/C17H17FN4/c1-9-6-7-10(18)8-13(9)15-12-5-3-2-4-11(12)14-16(19)21-22-17(14)20-15/h6-8H,2-5H2,1H3,(H3,19,20,21,22)
InChIKeyYPULTKAHHAYKOE-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.53
Rot. Bonds1

About 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine

5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine (PubChem CID 53497554) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
PubChem CID53497554
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
SMILESCc1ccc(F)cc1-c1nc2n[nH]c(N)c2c2c1CCCC2
InChIInChI=1S/C17H17FN4/c1-9-6-7-10(18)8-13(9)15-12-5-3-2-4-11(12)14-16(19)21-22-17(14)20-15/h6-8H,2-5H2,1H3,(H3,19,20,21,22)
InChIKeyYPULTKAHHAYKOE-UHFFFAOYSA-N
XLogP3.53
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The IUPAC name of 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine (CID 53497554) is 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine.
What is the SMILES notation for 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The canonical SMILES for 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine is Cc1ccc(F)cc1-c1nc2n[nH]c(N)c2c2c1CCCC2.
What is the InChIKey of 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The InChIKey is YPULTKAHHAYKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-9-6-7-10(18)8-13(9)15-12-5-3-2-4-11(12)14-16(19)21-22-17(14)20-15/h6-8H,2-5H2,1H3,(H3,19,20,21,22).
What are the key properties of 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine has a molecular weight of 296.35 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methylphenyl)-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine is sourced from PubChem (CID 53497554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).