1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

C7H11N3O — CID 83845584

IUPAC1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2c1c(=O)[nH]n2C
InChIInChI=1S/C7H11N3O/c1-4-6-5(3-8-4)10(2)9-7(6)11/h4,8H,3H2,1-2H3,(H,9,11)
InChIKeyZKICSUCLZVYALA-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.12
Rot. Bonds

About 1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 83845584) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID83845584
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2c1c(=O)[nH]n2C
InChIInChI=1S/C7H11N3O/c1-4-6-5(3-8-4)10(2)9-7(6)11/h4,8H,3H2,1-2H3,(H,9,11)
InChIKeyZKICSUCLZVYALA-UHFFFAOYSA-N
XLogP-0.12
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 83845584) is 1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is CC1NCc2c1c(=O)[nH]n2C.
What is the InChIKey of 1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is ZKICSUCLZVYALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4-6-5(3-8-4)10(2)9-7(6)11/h4,8H,3H2,1-2H3,(H,9,11).
What are the key properties of 1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 153.18 g/mol, XLogP of -0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83845584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).