4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one

C5H5N3O — CID 23355440

IUPAC4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1NCc2cn[nH]c21
InChIInChI=1S/C5H5N3O/c9-5-4-3(1-6-5)2-7-8-4/h2H,1H2,(H,6,9)(H,7,8)
InChIKeyLYIPETYYHFBBIC-UHFFFAOYSA-N
MW123.11 g/mol
LogP-0.35
Rot. Bonds

About 4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one

4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 23355440) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is 4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID23355440
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
SMILESO=C1NCc2cn[nH]c21
InChIInChI=1S/C5H5N3O/c9-5-4-3(1-6-5)2-7-8-4/h2H,1H2,(H,6,9)(H,7,8)
InChIKeyLYIPETYYHFBBIC-UHFFFAOYSA-N
XLogP-0.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one (CID 23355440) is 4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is O=C1NCc2cn[nH]c21.
What is the InChIKey of 4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is LYIPETYYHFBBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c9-5-4-3(1-6-5)2-7-8-4/h2H,1H2,(H,6,9)(H,7,8).
What are the key properties of 4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one?
4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 123.11 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 23355440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).