5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

C11H19N3O — CID 105463388

IUPAC5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCC(C)Cn1[nH]c(=O)c2c1CCN(C)C2
InChIInChI=1S/C11H19N3O/c1-8(2)6-14-10-4-5-13(3)7-9(10)11(15)12-14/h8H,4-7H2,1-3H3,(H,12,15)
InChIKeyXCHYSQINBJBNMO-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.82
Rot. Bonds2

About 5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 105463388) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID105463388
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCC(C)Cn1[nH]c(=O)c2c1CCN(C)C2
InChIInChI=1S/C11H19N3O/c1-8(2)6-14-10-4-5-13(3)7-9(10)11(15)12-14/h8H,4-7H2,1-3H3,(H,12,15)
InChIKeyXCHYSQINBJBNMO-UHFFFAOYSA-N
XLogP0.82
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 105463388) is 5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is CC(C)Cn1[nH]c(=O)c2c1CCN(C)C2.
What is the InChIKey of 5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is XCHYSQINBJBNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)6-14-10-4-5-13(3)7-9(10)11(15)12-14/h8H,4-7H2,1-3H3,(H,12,15).
What are the key properties of 5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 209.29 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 105463388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).