2H-cyclopenta[c]pyrazol-3-one

C6H4N2O — CID 68678244

IUPAC2H-cyclopenta[c]pyrazol-3-one
SMILESO=C1NN=C2C=CC=C12
InChIInChI=1S/C6H4N2O/c9-6-4-2-1-3-5(4)7-8-6/h1-3H,(H,8,9)
InChIKeyCYAXCFDVGYOTKL-UHFFFAOYSA-N
MW120.11 g/mol
LogP-0.03
Rot. Bonds

About 2H-cyclopenta[c]pyrazol-3-one

2H-cyclopenta[c]pyrazol-3-one (PubChem CID 68678244) has the molecular formula C6H4N2O and a molecular weight of 120.11 g/mol. Its IUPAC name is 2H-cyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2H-cyclopenta[c]pyrazol-3-one
PubChem CID68678244
Molecular FormulaC6H4N2O
Molecular Weight120.11 g/mol
Exact Mass120.03
IUPAC Name2H-cyclopenta[c]pyrazol-3-one
SMILESO=C1NN=C2C=CC=C12
InChIInChI=1S/C6H4N2O/c9-6-4-2-1-3-5(4)7-8-6/h1-3H,(H,8,9)
InChIKeyCYAXCFDVGYOTKL-UHFFFAOYSA-N
XLogP-0.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-cyclopenta[c]pyrazol-3-one?
The IUPAC name of 2H-cyclopenta[c]pyrazol-3-one (CID 68678244) is 2H-cyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2H-cyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2H-cyclopenta[c]pyrazol-3-one is O=C1NN=C2C=CC=C12.
What is the InChIKey of 2H-cyclopenta[c]pyrazol-3-one?
The InChIKey is CYAXCFDVGYOTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O/c9-6-4-2-1-3-5(4)7-8-6/h1-3H,(H,8,9).
What are the key properties of 2H-cyclopenta[c]pyrazol-3-one?
2H-cyclopenta[c]pyrazol-3-one has a molecular weight of 120.11 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 68678244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).