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

C10H15N3O2 — CID 115026368

IUPAC4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2[nH]n(C3CCOC3)c(=O)c21
InChIInChI=1S/C10H15N3O2/c1-6-9-8(4-11-6)12-13(10(9)14)7-2-3-15-5-7/h6-7,11-12H,2-5H2,1H3
InChIKeyNIKPZDJRYWYLAL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.30
Rot. Bonds1

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

4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 115026368) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID115026368
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2[nH]n(C3CCOC3)c(=O)c21
InChIInChI=1S/C10H15N3O2/c1-6-9-8(4-11-6)12-13(10(9)14)7-2-3-15-5-7/h6-7,11-12H,2-5H2,1H3
InChIKeyNIKPZDJRYWYLAL-UHFFFAOYSA-N
XLogP0.30
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 115026368) is 4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is CC1NCc2[nH]n(C3CCOC3)c(=O)c21.
What is the InChIKey of 4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is NIKPZDJRYWYLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-9-8(4-11-6)12-13(10(9)14)7-2-3-15-5-7/h6-7,11-12H,2-5H2,1H3.
What are the key properties of 4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 209.25 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 115026368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).