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

C8H11N3O — CID 121170425

IUPAC1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESCC(=O)N1CCn2nccc2C1
InChIInChI=1S/C8H11N3O/c1-7(12)10-4-5-11-8(6-10)2-3-9-11/h2-3H,4-6H2,1H3
InChIKeyHHWPPMFVVPBOLV-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.25
Rot. Bonds

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

1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (PubChem CID 121170425) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
PubChem CID121170425
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESCC(=O)N1CCn2nccc2C1
InChIInChI=1S/C8H11N3O/c1-7(12)10-4-5-11-8(6-10)2-3-9-11/h2-3H,4-6H2,1H3
InChIKeyHHWPPMFVVPBOLV-UHFFFAOYSA-N
XLogP0.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.25
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)ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (CID 121170425) is 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is CC(=O)N1CCn2nccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The InChIKey is HHWPPMFVVPBOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-7(12)10-4-5-11-8(6-10)2-3-9-11/h2-3H,4-6H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone has a molecular weight of 165.20 g/mol, XLogP of 0.25, 0 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)ethanone is sourced from PubChem (CID 121170425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).