5-cyclopropyl-1,2-dihydropyrazol-3-one

C6H8N2O — CID 12065262

IUPAC5-cyclopropyl-1,2-dihydropyrazol-3-one
SMILESO=c1cc(C2CC2)[nH][nH]1
InChIInChI=1S/C6H8N2O/c9-6-3-5(7-8-6)4-1-2-4/h3-4H,1-2H2,(H2,7,8,9)
InChIKeyONAVRRIFDWJRIC-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.58
Rot. Bonds1

About 5-cyclopropyl-1,2-dihydropyrazol-3-one

5-cyclopropyl-1,2-dihydropyrazol-3-one (PubChem CID 12065262) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-cyclopropyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-1,2-dihydropyrazol-3-one
PubChem CID12065262
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name5-cyclopropyl-1,2-dihydropyrazol-3-one
SMILESO=c1cc(C2CC2)[nH][nH]1
InChIInChI=1S/C6H8N2O/c9-6-3-5(7-8-6)4-1-2-4/h3-4H,1-2H2,(H2,7,8,9)
InChIKeyONAVRRIFDWJRIC-UHFFFAOYSA-N
XLogP0.58
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-cyclopropyl-1,2-dihydropyrazol-3-one (CID 12065262) is 5-cyclopropyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-1,2-dihydropyrazol-3-one is O=c1cc(C2CC2)[nH][nH]1.
What is the InChIKey of 5-cyclopropyl-1,2-dihydropyrazol-3-one?
The InChIKey is ONAVRRIFDWJRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c9-6-3-5(7-8-6)4-1-2-4/h3-4H,1-2H2,(H2,7,8,9).
What are the key properties of 5-cyclopropyl-1,2-dihydropyrazol-3-one?
5-cyclopropyl-1,2-dihydropyrazol-3-one has a molecular weight of 124.14 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 12065262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).