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

C12H19N3O2 — CID 105499257

IUPAC5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCN1CCc2[nH]n(C3CCOCC3)c(=O)c2C1
InChIInChI=1S/C12H19N3O2/c1-14-5-2-11-10(8-14)12(16)15(13-11)9-3-6-17-7-4-9/h9,13H,2-8H2,1H3
InChIKeyPVWWEYYXLFMELY-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.52
Rot. Bonds1

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

5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 105499257) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID105499257
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCN1CCc2[nH]n(C3CCOCC3)c(=O)c2C1
InChIInChI=1S/C12H19N3O2/c1-14-5-2-11-10(8-14)12(16)15(13-11)9-3-6-17-7-4-9/h9,13H,2-8H2,1H3
InChIKeyPVWWEYYXLFMELY-UHFFFAOYSA-N
XLogP0.52
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 105499257) is 5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is CN1CCc2[nH]n(C3CCOCC3)c(=O)c2C1.
What is the InChIKey of 5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is PVWWEYYXLFMELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-5-2-11-10(8-14)12(16)15(13-11)9-3-6-17-7-4-9/h9,13H,2-8H2,1H3.
What are the key properties of 5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 237.30 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 105499257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).