5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one

C11H17N3O2 — CID 105480669

IUPAC5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCN1Cc2[nH]n(C3CCOCC3)c(=O)c2C1
InChIInChI=1S/C11H17N3O2/c1-13-6-9-10(7-13)12-14(11(9)15)8-2-4-16-5-3-8/h8,12H,2-7H2,1H3
InChIKeyGXDUYBFVQOGIEL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.47
Rot. Bonds1

About 5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one

5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one (PubChem CID 105480669) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one
PubChem CID105480669
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCN1Cc2[nH]n(C3CCOCC3)c(=O)c2C1
InChIInChI=1S/C11H17N3O2/c1-13-6-9-10(7-13)12-14(11(9)15)8-2-4-16-5-3-8/h8,12H,2-7H2,1H3
InChIKeyGXDUYBFVQOGIEL-UHFFFAOYSA-N
XLogP0.47
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.47
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)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one (CID 105480669) is 5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one is CN1Cc2[nH]n(C3CCOCC3)c(=O)c2C1.
What is the InChIKey of 5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is GXDUYBFVQOGIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-6-9-10(7-13)12-14(11(9)15)8-2-4-16-5-3-8/h8,12H,2-7H2,1H3.
What are the key properties of 5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
5-methyl-2-(oxan-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.47, 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)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 105480669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).