3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one

C7H10N2O2 — CID 112695144

IUPAC3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(C2CCOC2)=NN1
InChIInChI=1S/C7H10N2O2/c10-7-3-6(8-9-7)5-1-2-11-4-5/h5H,1-4H2,(H,9,10)
InChIKeyJJBBZAVDABNSBS-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.10
Rot. Bonds1

About 3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one

3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one (PubChem CID 112695144) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one
PubChem CID112695144
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one
SMILESO=C1CC(C2CCOC2)=NN1
InChIInChI=1S/C7H10N2O2/c10-7-3-6(8-9-7)5-1-2-11-4-5/h5H,1-4H2,(H,9,10)
InChIKeyJJBBZAVDABNSBS-UHFFFAOYSA-N
XLogP-0.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one
CID 97434115
2-[(1R,2R)-2-hydroxycyclohexyl]-5-(oxolan-3-yl)-4H-pyrazol-3-one
CID 167830612
2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 114771335
3-(oxolan-3-yl)-1,2-oxazole
CID 114763668
2-(2,4-dimethylphenyl)-5-(oxolan-3-yl)-4H-pyrazol-3-one
CID 154768756
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859662
4-(oxolan-3-yl)-1H-pyrazole
CID 126851922
2-amino-6-(oxolan-3-yl)-1H-1,3,5-triazine-4-thione
CID 83241763
5-bromo-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 66315122
(3R)-3-(4-bromophenyl)oxolane
CID 95731213
2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
4-(hydroxymethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 137264745

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one (CID 112695144) is 3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one is O=C1CC(C2CCOC2)=NN1.
What is the InChIKey of 3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one?
The InChIKey is JJBBZAVDABNSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-7-3-6(8-9-7)5-1-2-11-4-5/h5H,1-4H2,(H,9,10).
What are the key properties of 3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one?
3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one has a molecular weight of 154.17 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 112695144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).