6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one

C15H19FN2O — CID 134589600

IUPAC6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one
SMILESCCC1(C)CN2CCC(c3cccc(F)c3)N2C1=O
InChIInChI=1S/C15H19FN2O/c1-3-15(2)10-17-8-7-13(18(17)14(15)19)11-5-4-6-12(16)9-11/h4-6,9,13H,3,7-8,10H2,1-2H3
InChIKeyUZEABODOKSXBDW-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.75
Rot. Bonds2

About 6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one

6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one (PubChem CID 134589600) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one.

Molecular Properties

Compound Name6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one
PubChem CID134589600
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one
SMILESCCC1(C)CN2CCC(c3cccc(F)c3)N2C1=O
InChIInChI=1S/C15H19FN2O/c1-3-15(2)10-17-8-7-13(18(17)14(15)19)11-5-4-6-12(16)9-11/h4-6,9,13H,3,7-8,10H2,1-2H3
InChIKeyUZEABODOKSXBDW-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one?
The IUPAC name of 6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one (CID 134589600) is 6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one.
What is the SMILES notation for 6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one?
The canonical SMILES for 6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one is CCC1(C)CN2CCC(c3cccc(F)c3)N2C1=O.
What is the InChIKey of 6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one?
The InChIKey is UZEABODOKSXBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-3-15(2)10-17-8-7-13(18(17)14(15)19)11-5-4-6-12(16)9-11/h4-6,9,13H,3,7-8,10H2,1-2H3.
What are the key properties of 6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one?
6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one has a molecular weight of 262.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one is sourced from PubChem (CID 134589600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).