5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine

C12H16N4 — CID 660145

IUPAC5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
SMILESCCc1nc2n[nH]c(N)c2c2c1CCCC2
InChIInChI=1S/C12H16N4/c1-2-9-7-5-3-4-6-8(7)10-11(13)15-16-12(10)14-9/h2-6H2,1H3,(H3,13,14,15,16)
InChIKeyUCECWXPFHBLFFB-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.98
Rot. Bonds1

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

5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine (PubChem CID 660145) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine.

Molecular Properties

Compound Name5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
PubChem CID660145
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
SMILESCCc1nc2n[nH]c(N)c2c2c1CCCC2
InChIInChI=1S/C12H16N4/c1-2-9-7-5-3-4-6-8(7)10-11(13)15-16-12(10)14-9/h2-6H2,1H3,(H3,13,14,15,16)
InChIKeyUCECWXPFHBLFFB-UHFFFAOYSA-N
XLogP1.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The IUPAC name of 5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine (CID 660145) is 5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine.
What is the SMILES notation for 5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The canonical SMILES for 5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine is CCc1nc2n[nH]c(N)c2c2c1CCCC2.
What is the InChIKey of 5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The InChIKey is UCECWXPFHBLFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-9-7-5-3-4-6-8(7)10-11(13)15-16-12(10)14-9/h2-6H2,1H3,(H3,13,14,15,16).
What are the key properties of 5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine is sourced from PubChem (CID 660145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).