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

C13H18N4 — CID 658209

IUPAC5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
SMILESCCCc1nc2n[nH]c(N)c2c2c1CCCC2
InChIInChI=1S/C13H18N4/c1-2-5-10-8-6-3-4-7-9(8)11-12(14)16-17-13(11)15-10/h2-7H2,1H3,(H3,14,15,16,17)
InChIKeyILRBNIWYTJOMCX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.37
Rot. Bonds2

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

5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine (PubChem CID 658209) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine.

Molecular Properties

Compound Name5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
PubChem CID658209
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
SMILESCCCc1nc2n[nH]c(N)c2c2c1CCCC2
InChIInChI=1S/C13H18N4/c1-2-5-10-8-6-3-4-7-9(8)11-12(14)16-17-13(11)15-10/h2-7H2,1H3,(H3,14,15,16,17)
InChIKeyILRBNIWYTJOMCX-UHFFFAOYSA-N
XLogP2.37
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The IUPAC name of 5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine (CID 658209) is 5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine.
What is the SMILES notation for 5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The canonical SMILES for 5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine is CCCc1nc2n[nH]c(N)c2c2c1CCCC2.
What is the InChIKey of 5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The InChIKey is ILRBNIWYTJOMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-5-10-8-6-3-4-7-9(8)11-12(14)16-17-13(11)15-10/h2-7H2,1H3,(H3,14,15,16,17).
What are the key properties of 5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine is sourced from PubChem (CID 658209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).