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

C12H11Cl2N3O — CID 71716898

IUPAC6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=c1[nH][nH]c2c1CCN(c1cc(Cl)cc(Cl)c1)C2
InChIInChI=1S/C12H11Cl2N3O/c13-7-3-8(14)5-9(4-7)17-2-1-10-11(6-17)15-16-12(10)18/h3-5H,1-2,6H2,(H2,15,16,18)
InChIKeyFHSFSMBMENGEDH-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.57
Rot. Bonds1

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

6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 71716898) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID71716898
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESO=c1[nH][nH]c2c1CCN(c1cc(Cl)cc(Cl)c1)C2
InChIInChI=1S/C12H11Cl2N3O/c13-7-3-8(14)5-9(4-7)17-2-1-10-11(6-17)15-16-12(10)18/h3-5H,1-2,6H2,(H2,15,16,18)
InChIKeyFHSFSMBMENGEDH-UHFFFAOYSA-N
XLogP2.57
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (CID 71716898) is 6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is O=c1[nH][nH]c2c1CCN(c1cc(Cl)cc(Cl)c1)C2.
What is the InChIKey of 6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is FHSFSMBMENGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c13-7-3-8(14)5-9(4-7)17-2-1-10-11(6-17)15-16-12(10)18/h3-5H,1-2,6H2,(H2,15,16,18).
What are the key properties of 6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 284.15 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dichlorophenyl)-2,4,5,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 71716898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).