1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one

C9H13N3O — CID 90379129

IUPAC1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
SMILESCCC(=O)N1CCn2nccc2C1
InChIInChI=1S/C9H13N3O/c1-2-9(13)11-5-6-12-8(7-11)3-4-10-12/h3-4H,2,5-7H2,1H3
InChIKeyUALNRBWSJXXCID-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.64
Rot. Bonds1

About 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one

1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one (PubChem CID 90379129) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
PubChem CID90379129
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
SMILESCCC(=O)N1CCn2nccc2C1
InChIInChI=1S/C9H13N3O/c1-2-9(13)11-5-6-12-8(7-11)3-4-10-12/h3-4H,2,5-7H2,1H3
InChIKeyUALNRBWSJXXCID-UHFFFAOYSA-N
XLogP0.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one (CID 90379129) is 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one is CCC(=O)N1CCn2nccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?
The InChIKey is UALNRBWSJXXCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-9(13)11-5-6-12-8(7-11)3-4-10-12/h3-4H,2,5-7H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?
1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one has a molecular weight of 179.22 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one is sourced from PubChem (CID 90379129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).