1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one

C12H15N3O — CID 135512456

IUPAC1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCc1nn(C)c2[nH]c(=O)c3c(c12)CCCC3
InChIInChI=1S/C12H15N3O/c1-7-10-8-5-3-4-6-9(8)12(16)13-11(10)15(2)14-7/h3-6H2,1-2H3,(H,13,16)
InChIKeyFWZAAFCZCMNZFY-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.45
Rot. Bonds

About 1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one

1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 135512456) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
PubChem CID135512456
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCc1nn(C)c2[nH]c(=O)c3c(c12)CCCC3
InChIInChI=1S/C12H15N3O/c1-7-10-8-5-3-4-6-9(8)12(16)13-11(10)15(2)14-7/h3-6H2,1-2H3,(H,13,16)
InChIKeyFWZAAFCZCMNZFY-UHFFFAOYSA-N
XLogP1.45
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (CID 135512456) is 1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is Cc1nn(C)c2[nH]c(=O)c3c(c12)CCCC3.
What is the InChIKey of 1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is FWZAAFCZCMNZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-10-8-5-3-4-6-9(8)12(16)13-11(10)15(2)14-7/h3-6H2,1-2H3,(H,13,16).
What are the key properties of 1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 217.27 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 135512456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).