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

C7H11N3O — CID 83845579

IUPAC6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1(C)NCc2c1[nH][nH]c2=O
InChIInChI=1S/C7H11N3O/c1-7(2)5-4(3-8-7)6(11)10-9-5/h8H,3H2,1-2H3,(H2,9,10,11)
InChIKeyCNYBGFGZSRSJSV-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.04
Rot. Bonds

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

6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 83845579) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID83845579
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1(C)NCc2c1[nH][nH]c2=O
InChIInChI=1S/C7H11N3O/c1-7(2)5-4(3-8-7)6(11)10-9-5/h8H,3H2,1-2H3,(H2,9,10,11)
InChIKeyCNYBGFGZSRSJSV-UHFFFAOYSA-N
XLogP0.04
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 83845579) is 6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one is CC1(C)NCc2c1[nH][nH]c2=O.
What is the InChIKey of 6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is CNYBGFGZSRSJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-7(2)5-4(3-8-7)6(11)10-9-5/h8H,3H2,1-2H3,(H2,9,10,11).
What are the key properties of 6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 153.19 g/mol, XLogP of 0.04, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83845579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).