3-cyclopropyl-1,4-dihydropyrazol-5-one

C6H8N2O — CID 22059494

IUPAC3-cyclopropyl-1,4-dihydropyrazol-5-one
SMILESO=C1CC(C2CC2)=NN1
InChIInChI=1S/C6H8N2O/c9-6-3-5(7-8-6)4-1-2-4/h4H,1-3H2,(H,8,9)
InChIKeyNDQDORROJIYSBZ-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.27
Rot. Bonds1

About 3-cyclopropyl-1,4-dihydropyrazol-5-one

3-cyclopropyl-1,4-dihydropyrazol-5-one (PubChem CID 22059494) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-cyclopropyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-cyclopropyl-1,4-dihydropyrazol-5-one
PubChem CID22059494
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name3-cyclopropyl-1,4-dihydropyrazol-5-one
SMILESO=C1CC(C2CC2)=NN1
InChIInChI=1S/C6H8N2O/c9-6-3-5(7-8-6)4-1-2-4/h4H,1-3H2,(H,8,9)
InChIKeyNDQDORROJIYSBZ-UHFFFAOYSA-N
XLogP0.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-cyclopropyl-1,4-dihydropyrazol-5-one (CID 22059494) is 3-cyclopropyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-cyclopropyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-cyclopropyl-1,4-dihydropyrazol-5-one is O=C1CC(C2CC2)=NN1.
What is the InChIKey of 3-cyclopropyl-1,4-dihydropyrazol-5-one?
The InChIKey is NDQDORROJIYSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c9-6-3-5(7-8-6)4-1-2-4/h4H,1-3H2,(H,8,9).
What are the key properties of 3-cyclopropyl-1,4-dihydropyrazol-5-one?
3-cyclopropyl-1,4-dihydropyrazol-5-one has a molecular weight of 124.14 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 22059494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).