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

C9H11N3O — CID 122697069

IUPAC3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]ccc12
InChIInChI=1S/C9H11N3O/c1-5(2)7-6-3-4-10-9(13)8(6)12-11-7/h3-5H,1-2H3,(H,10,13)(H,11,12)
InChIKeyRRAZIYWGLSWDNW-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.37
Rot. Bonds1

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

3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 122697069) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID122697069
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]ccc12
InChIInChI=1S/C9H11N3O/c1-5(2)7-6-3-4-10-9(13)8(6)12-11-7/h3-5H,1-2H3,(H,10,13)(H,11,12)
InChIKeyRRAZIYWGLSWDNW-UHFFFAOYSA-N
XLogP1.37
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one (CID 122697069) is 3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one is CC(C)c1[nH]nc2c(=O)[nH]ccc12.
What is the InChIKey of 3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is RRAZIYWGLSWDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5(2)7-6-3-4-10-9(13)8(6)12-11-7/h3-5H,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one?
3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 177.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,6-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 122697069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).