3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one

C8H9N3O — CID 15832608

IUPAC3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1[nH]nc2c(=O)[nH]ccc12
InChIInChI=1S/C8H9N3O/c1-2-6-5-3-4-9-8(12)7(5)11-10-6/h3-4H,2H2,1H3,(H,9,12)(H,10,11)
InChIKeyXHQPTEZSVPFPNK-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.81
Rot. Bonds1

About 3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one

3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 15832608) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID15832608
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1[nH]nc2c(=O)[nH]ccc12
InChIInChI=1S/C8H9N3O/c1-2-6-5-3-4-9-8(12)7(5)11-10-6/h3-4H,2H2,1H3,(H,9,12)(H,10,11)
InChIKeyXHQPTEZSVPFPNK-UHFFFAOYSA-N
XLogP0.81
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one (CID 15832608) is 3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one is CCc1[nH]nc2c(=O)[nH]ccc12.
What is the InChIKey of 3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is XHQPTEZSVPFPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-2-6-5-3-4-9-8(12)7(5)11-10-6/h3-4H,2H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one?
3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 163.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 15832608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).