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

C7H9N3O — CID 134267219

IUPAC2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC1NC(=O)c2nn(C)cc21
InChIInChI=1S/C7H9N3O/c1-4-5-3-10(2)9-6(5)7(11)8-4/h3-4H,1-2H3,(H,8,11)
InChIKeyCABVVIQLWWXPTH-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.22
Rot. Bonds

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

2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 134267219) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID134267219
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCC1NC(=O)c2nn(C)cc21
InChIInChI=1S/C7H9N3O/c1-4-5-3-10(2)9-6(5)7(11)8-4/h3-4H,1-2H3,(H,8,11)
InChIKeyCABVVIQLWWXPTH-UHFFFAOYSA-N
XLogP0.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 134267219) is 2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one is CC1NC(=O)c2nn(C)cc21.
What is the InChIKey of 2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is CABVVIQLWWXPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-4-5-3-10(2)9-6(5)7(11)8-4/h3-4H,1-2H3,(H,8,11).
What are the key properties of 2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one?
2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 151.17 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 134267219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).