5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole

C11H17N3O — CID 118974270

IUPAC5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCN1Cc2cn(C3CCOCC3)nc2C1
InChIInChI=1S/C11H17N3O/c1-13-6-9-7-14(12-11(9)8-13)10-2-4-15-5-3-10/h7,10H,2-6,8H2,1H3
InChIKeyRJMCUADCJVYFGI-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.18
Rot. Bonds1

About 5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole

5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 118974270) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole
PubChem CID118974270
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCN1Cc2cn(C3CCOCC3)nc2C1
InChIInChI=1S/C11H17N3O/c1-13-6-9-7-14(12-11(9)8-13)10-2-4-15-5-3-10/h7,10H,2-6,8H2,1H3
InChIKeyRJMCUADCJVYFGI-UHFFFAOYSA-N
XLogP1.18
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
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-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of 5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole (CID 118974270) is 5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for 5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole is CN1Cc2cn(C3CCOCC3)nc2C1.
What is the InChIKey of 5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is RJMCUADCJVYFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-6-9-7-14(12-11(9)8-13)10-2-4-15-5-3-10/h7,10H,2-6,8H2,1H3.
What are the key properties of 5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
5-methyl-2-(oxan-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 207.28 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 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-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 118974270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).