6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

C9H14N2O — CID 3040287

IUPAC6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
SMILESCCc1c(C)n2n(c1=O)CCC2
InChIInChI=1S/C9H14N2O/c1-3-8-7(2)10-5-4-6-11(10)9(8)12/h3-6H2,1-2H3
InChIKeyVKHRWXILDHWVCK-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.92
Rot. Bonds1

About 6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one (PubChem CID 3040287) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one.

Molecular Properties

Compound Name6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
PubChem CID3040287
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
SMILESCCc1c(C)n2n(c1=O)CCC2
InChIInChI=1S/C9H14N2O/c1-3-8-7(2)10-5-4-6-11(10)9(8)12/h3-6H2,1-2H3
InChIKeyVKHRWXILDHWVCK-UHFFFAOYSA-N
XLogP0.92
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The IUPAC name of 6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one (CID 3040287) is 6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one.
What is the SMILES notation for 6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The canonical SMILES for 6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one is CCc1c(C)n2n(c1=O)CCC2.
What is the InChIKey of 6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The InChIKey is VKHRWXILDHWVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-8-7(2)10-5-4-6-11(10)9(8)12/h3-6H2,1-2H3.
What are the key properties of 6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one has a molecular weight of 166.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-methyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one is sourced from PubChem (CID 3040287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).