1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one

C10H19N3O — CID 89360708

IUPAC1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one
SMILESCCC(=O)C1C2CNNC2CN1CC
InChIInChI=1S/C10H19N3O/c1-3-9(14)10-7-5-11-12-8(7)6-13(10)4-2/h7-8,10-12H,3-6H2,1-2H3
InChIKeyUAYYWGINMRKQNH-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.24
Rot. Bonds3

About 1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one

1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one (PubChem CID 89360708) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one
PubChem CID89360708
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one
SMILESCCC(=O)C1C2CNNC2CN1CC
InChIInChI=1S/C10H19N3O/c1-3-9(14)10-7-5-11-12-8(7)6-13(10)4-2/h7-8,10-12H,3-6H2,1-2H3
InChIKeyUAYYWGINMRKQNH-UHFFFAOYSA-N
XLogP-0.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one with MolForge

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Related Compounds

1-(1-ethyl-3,4-dimethylpyrrolidin-2-yl)propan-1-one
CID 89360655
5-cyclopropyl-1,2-diethylpiperazine
CID 64862405
1-[(3S,3aS,6aR)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]propan-1-one
CID 163454206
1-(azetidin-3-yl)propan-1-one;hydrochloride
CID 142435570
1-[(1S,5R)-6,6-dibromo-3-propanoyl-3-azabicyclo[3.1.0]hexan-2-yl]propan-1-one
CID 143195940
acetic acid;azane;1,2-diethylpiperazine
CID 174720092
1-(2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-1-yl)propan-1-one
CID 71195850
1-(1-ethylpiperazin-2-yl)ethanone
CID 173048643
1-(4-ethyl-2-propanoylcyclopentyl)propan-1-one
CID 70888817
ethyl 4-ethyl-1,4-diazatricyclo[5.2.2.02,6]undecane-3-carboxylate
CID 83986025
1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one
CID 147463396
1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
CID 25098131

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one (CID 89360708) is 1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one is CCC(=O)C1C2CNNC2CN1CC.
What is the InChIKey of 1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one?
The InChIKey is UAYYWGINMRKQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-9(14)10-7-5-11-12-8(7)6-13(10)4-2/h7-8,10-12H,3-6H2,1-2H3.
What are the key properties of 1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one?
1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one has a molecular weight of 197.28 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 89360708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).