7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline

C11H13N3 — CID 59490531

IUPAC7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline
SMILESCC1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C11H13N3/c1-7-2-3-9-8(4-7)5-12-11-10(9)6-13-14-11/h5-7H,2-4H2,1H3,(H,12,13,14)
InChIKeyJLOHYKNDKOKDGX-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.08
Rot. Bonds

About 7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline

7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline (PubChem CID 59490531) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline.

Molecular Properties

Compound Name7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline
PubChem CID59490531
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline
SMILESCC1CCc2c(cnc3[nH]ncc23)C1
InChIInChI=1S/C11H13N3/c1-7-2-3-9-8(4-7)5-12-11-10(9)6-13-14-11/h5-7H,2-4H2,1H3,(H,12,13,14)
InChIKeyJLOHYKNDKOKDGX-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline?
The IUPAC name of 7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline (CID 59490531) is 7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline.
What is the SMILES notation for 7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline?
The canonical SMILES for 7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline is CC1CCc2c(cnc3[nH]ncc23)C1.
What is the InChIKey of 7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline?
The InChIKey is JLOHYKNDKOKDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-2-3-9-8(4-7)5-12-11-10(9)6-13-14-11/h5-7H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline?
7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline has a molecular weight of 187.25 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinoline is sourced from PubChem (CID 59490531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).