2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one

C11H19N3O — CID 115026525

IUPAC2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESCC1Cc2c([nH]n(C(C)(C)C)c2=O)CN1
InChIInChI=1S/C11H19N3O/c1-7-5-8-9(6-12-7)13-14(10(8)15)11(2,3)4/h7,12-13H,5-6H2,1-4H3
InChIKeyGYAWSCJWJJZBBE-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.97
Rot. Bonds

About 2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one

2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 115026525) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID115026525
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESCC1Cc2c([nH]n(C(C)(C)C)c2=O)CN1
InChIInChI=1S/C11H19N3O/c1-7-5-8-9(6-12-7)13-14(10(8)15)11(2,3)4/h7,12-13H,5-6H2,1-4H3
InChIKeyGYAWSCJWJJZBBE-UHFFFAOYSA-N
XLogP0.97
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (CID 115026525) is 2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is CC1Cc2c([nH]n(C(C)(C)C)c2=O)CN1.
What is the InChIKey of 2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is GYAWSCJWJJZBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7-5-8-9(6-12-7)13-14(10(8)15)11(2,3)4/h7,12-13H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 209.29 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 115026525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).