4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

C12H20N4O — CID 115041640

IUPAC4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2[nH]n(C3CCCN(C)C3)c(=O)c21
InChIInChI=1S/C12H20N4O/c1-8-11-10(6-13-8)14-16(12(11)17)9-4-3-5-15(2)7-9/h8-9,13-14H,3-7H2,1-2H3
InChIKeyONOPYARZZDWRKM-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.61
Rot. Bonds1

About 4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 115041640) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID115041640
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2[nH]n(C3CCCN(C)C3)c(=O)c21
InChIInChI=1S/C12H20N4O/c1-8-11-10(6-13-8)14-16(12(11)17)9-4-3-5-15(2)7-9/h8-9,13-14H,3-7H2,1-2H3
InChIKeyONOPYARZZDWRKM-UHFFFAOYSA-N
XLogP0.61
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 115041640) is 4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is CC1NCc2[nH]n(C3CCCN(C)C3)c(=O)c21.
What is the InChIKey of 4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is ONOPYARZZDWRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-11-10(6-13-8)14-16(12(11)17)9-4-3-5-15(2)7-9/h8-9,13-14H,3-7H2,1-2H3.
What are the key properties of 4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 236.32 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylpiperidin-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 115041640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).