1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one

C13H19N3O — CID 10823542

IUPAC1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCC2)c2c1CCNC2=O
InChIInChI=1S/C13H19N3O/c1-2-11-10-7-8-14-13(17)12(10)16(15-11)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,14,17)
InChIKeyQJLZPHIDOKBEGS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.85
Rot. Bonds2

About 1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one

1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one (PubChem CID 10823542) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one
PubChem CID10823542
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCC2)c2c1CCNC2=O
InChIInChI=1S/C13H19N3O/c1-2-11-10-7-8-14-13(17)12(10)16(15-11)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,14,17)
InChIKeyQJLZPHIDOKBEGS-UHFFFAOYSA-N
XLogP1.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one (CID 10823542) is 1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one is CCc1nn(C2CCCC2)c2c1CCNC2=O.
What is the InChIKey of 1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one?
The InChIKey is QJLZPHIDOKBEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-11-10-7-8-14-13(17)12(10)16(15-11)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,14,17).
What are the key properties of 1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one?
1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one has a molecular weight of 233.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10823542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).