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

C11H14N4 — CID 917094

IUPAC5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
SMILESCc1nc2n[nH]c(N)c2c2c1CCCC2
InChIInChI=1S/C11H14N4/c1-6-7-4-2-3-5-8(7)9-10(12)14-15-11(9)13-6/h2-5H2,1H3,(H3,12,13,14,15)
InChIKeyOMMLCDXEYXHSFI-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.73
Rot. Bonds

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

5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine (PubChem CID 917094) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine.

Molecular Properties

Compound Name5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
PubChem CID917094
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine
SMILESCc1nc2n[nH]c(N)c2c2c1CCCC2
InChIInChI=1S/C11H14N4/c1-6-7-4-2-3-5-8(7)9-10(12)14-15-11(9)13-6/h2-5H2,1H3,(H3,12,13,14,15)
InChIKeyOMMLCDXEYXHSFI-UHFFFAOYSA-N
XLogP1.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The IUPAC name of 5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine (CID 917094) is 5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine.
What is the SMILES notation for 5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The canonical SMILES for 5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine is Cc1nc2n[nH]c(N)c2c2c1CCCC2.
What is the InChIKey of 5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
The InChIKey is OMMLCDXEYXHSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-6-7-4-2-3-5-8(7)9-10(12)14-15-11(9)13-6/h2-5H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine?
5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine has a molecular weight of 202.26 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7,8,9-tetrahydro-2H-pyrazolo[3,4-c]isoquinolin-1-amine is sourced from PubChem (CID 917094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).