2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

C10H14N2O2 — CID 130570222

IUPAC2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCOC1)CCC2
InChIInChI=1S/C10H14N2O2/c13-10-8-2-1-3-9(8)11-12(10)7-4-5-14-6-7/h7,11H,1-6H2
InChIKeyFEMRSNJZFRAHCQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.63
Rot. Bonds1

About 2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (PubChem CID 130570222) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
PubChem CID130570222
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1C1CCOC1)CCC2
InChIInChI=1S/C10H14N2O2/c13-10-8-2-1-3-9(8)11-12(10)7-4-5-14-6-7/h7,11H,1-6H2
InChIKeyFEMRSNJZFRAHCQ-UHFFFAOYSA-N
XLogP0.63
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Oxan-4-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 105461808
2-(2-Hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66020841
Ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate
CID 66022560
1-(Oxan-4-yl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 105461796
4-Methyl-2-(oxolan-3-yl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 115026368

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The IUPAC name of 2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (CID 130570222) is 2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is O=c1c2c([nH]n1C1CCOC1)CCC2.
What is the InChIKey of 2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The InChIKey is FEMRSNJZFRAHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10-8-2-1-3-9(8)11-12(10)7-4-5-14-6-7/h7,11H,1-6H2.
What are the key properties of 2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one has a molecular weight of 194.23 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 130570222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).