1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone

C13H19N3O2 — CID 119103035

IUPAC1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C13H19N3O2/c1-2-18-9-13(17)15-5-6-16-11(8-15)7-12(14-16)10-3-4-10/h7,10H,2-6,8-9H2,1H3
InChIKeyALMNMXBYSLRPOT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.14
Rot. Bonds4

About 1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone

1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone (PubChem CID 119103035) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone
PubChem CID119103035
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone
SMILESCCOCC(=O)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C13H19N3O2/c1-2-18-9-13(17)15-5-6-16-11(8-15)7-12(14-16)10-3-4-10/h7,10H,2-6,8-9H2,1H3
InChIKeyALMNMXBYSLRPOT-UHFFFAOYSA-N
XLogP1.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone?
The IUPAC name of 1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone (CID 119103035) is 1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone is CCOCC(=O)N1CCn2nc(C3CC3)cc2C1.
What is the InChIKey of 1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone?
The InChIKey is ALMNMXBYSLRPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-9-13(17)15-5-6-16-11(8-15)7-12(14-16)10-3-4-10/h7,10H,2-6,8-9H2,1H3.
What are the key properties of 1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone?
1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone has a molecular weight of 249.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-ethoxyethanone is sourced from PubChem (CID 119103035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).