6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one

C7H11N3O — CID 83845577

IUPAC6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCCC1NCc2c1[nH][nH]c2=O
InChIInChI=1S/C7H11N3O/c1-2-5-6-4(3-8-5)7(11)10-9-6/h5,8H,2-3H2,1H3,(H2,9,10,11)
InChIKeyYXGDVQVKCOSOOD-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.26
Rot. Bonds1

About 6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one

6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one (PubChem CID 83845577) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one
PubChem CID83845577
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCCC1NCc2c1[nH][nH]c2=O
InChIInChI=1S/C7H11N3O/c1-2-5-6-4(3-8-5)7(11)10-9-6/h5,8H,2-3H2,1H3,(H2,9,10,11)
InChIKeyYXGDVQVKCOSOOD-UHFFFAOYSA-N
XLogP0.26
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one (CID 83845577) is 6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one is CCC1NCc2c1[nH][nH]c2=O.
What is the InChIKey of 6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is YXGDVQVKCOSOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-5-6-4(3-8-5)7(11)10-9-6/h5,8H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 153.19 g/mol, XLogP of 0.26, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 83845577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).