2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline

C10H11N3 — CID 141394682

IUPAC2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline
SMILESC1=CC2=CC3=C(CNN3)CC2=CN1
InChIInChI=1S/C10H11N3/c1-2-11-5-8-3-9-6-12-13-10(9)4-7(1)8/h1-2,4-5,11-13H,3,6H2
InChIKeyILOHCDSMEPHVFI-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.68
Rot. Bonds

About 2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline

2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline (PubChem CID 141394682) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline.

Molecular Properties

Compound Name2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline
PubChem CID141394682
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline
SMILESC1=CC2=CC3=C(CNN3)CC2=CN1
InChIInChI=1S/C10H11N3/c1-2-11-5-8-3-9-6-12-13-10(9)4-7(1)8/h1-2,4-5,11-13H,3,6H2
InChIKeyILOHCDSMEPHVFI-UHFFFAOYSA-N
XLogP0.68
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline?
The IUPAC name of 2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline (CID 141394682) is 2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline.
What is the SMILES notation for 2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline?
The canonical SMILES for 2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline is C1=CC2=CC3=C(CNN3)CC2=CN1.
What is the InChIKey of 2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline?
The InChIKey is ILOHCDSMEPHVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-11-5-8-3-9-6-12-13-10(9)4-7(1)8/h1-2,4-5,11-13H,3,6H2.
What are the key properties of 2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline?
2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline has a molecular weight of 173.22 g/mol, XLogP of 0.68, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydro-1H-pyrazolo[3,4-g]isoquinoline is sourced from PubChem (CID 141394682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).