3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C12H19N3O — CID 137146758

IUPAC3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC1Cc2c(C(C)(C)C)nn(C)c2NC1=O
InChIInChI=1S/C12H19N3O/c1-7-6-8-9(12(2,3)4)14-15(5)10(8)13-11(7)16/h7H,6H2,1-5H3,(H,13,16)
InChIKeyVFZQRGTZSALUHS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.85
Rot. Bonds

About 3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 137146758) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID137146758
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC1Cc2c(C(C)(C)C)nn(C)c2NC1=O
InChIInChI=1S/C12H19N3O/c1-7-6-8-9(12(2,3)4)14-15(5)10(8)13-11(7)16/h7H,6H2,1-5H3,(H,13,16)
InChIKeyVFZQRGTZSALUHS-UHFFFAOYSA-N
XLogP1.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 137146758) is 3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CC1Cc2c(C(C)(C)C)nn(C)c2NC1=O.
What is the InChIKey of 3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is VFZQRGTZSALUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-7-6-8-9(12(2,3)4)14-15(5)10(8)13-11(7)16/h7H,6H2,1-5H3,(H,13,16).
What are the key properties of 3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 137146758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).