2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one

C9H13F2N3O — CID 84682546

IUPAC2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1CCC(F)F)CNCC2
InChIInChI=1S/C9H13F2N3O/c10-8(11)2-4-14-9(15)6-1-3-12-5-7(6)13-14/h8,12-13H,1-5H2
InChIKeyBFQCMGWXGKKGHF-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.48
Rot. Bonds3

About 2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one

2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 84682546) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID84682546
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1CCC(F)F)CNCC2
InChIInChI=1S/C9H13F2N3O/c10-8(11)2-4-14-9(15)6-1-3-12-5-7(6)13-14/h8,12-13H,1-5H2
InChIKeyBFQCMGWXGKKGHF-UHFFFAOYSA-N
XLogP0.48
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (CID 84682546) is 2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is O=c1c2c([nH]n1CCC(F)F)CNCC2.
What is the InChIKey of 2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is BFQCMGWXGKKGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c10-8(11)2-4-14-9(15)6-1-3-12-5-7(6)13-14/h8,12-13H,1-5H2.
What are the key properties of 2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 217.22 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 84682546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).