1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone

C8H10IN3O — CID 138039638

IUPAC1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESCC(=O)N1CCn2ncc(I)c2C1
InChIInChI=1S/C8H10IN3O/c1-6(13)11-2-3-12-8(5-11)7(9)4-10-12/h4H,2-3,5H2,1H3
InChIKeyODOPHILDNOMVLP-UHFFFAOYSA-N
MW291.09 g/mol
LogP0.85
Rot. Bonds

About 1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone

1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (PubChem CID 138039638) has the molecular formula C8H10IN3O and a molecular weight of 291.09 g/mol. Its IUPAC name is 1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
PubChem CID138039638
Molecular FormulaC8H10IN3O
Molecular Weight291.09 g/mol
Exact Mass290.99
IUPAC Name1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESCC(=O)N1CCn2ncc(I)c2C1
InChIInChI=1S/C8H10IN3O/c1-6(13)11-2-3-12-8(5-11)7(9)4-10-12/h4H,2-3,5H2,1H3
InChIKeyODOPHILDNOMVLP-UHFFFAOYSA-N
XLogP0.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-iodo-6-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121483850
tert-butyl 3-iodo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine-5-carboxylate
CID 121484015
3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 176693018
(E)-1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-4-fluorobut-2-en-1-one
CID 176702359
2-fluoro-1-(7-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
CID 178674941
1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
CID 176702896
1-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-sulfanylpropan-1-one
CID 177681201
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]acetamide
CID 19452282
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19458350
1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
CID 90379129
2-(4-Iodo-5-methylpyrazol-1-yl)acetamide
CID 118615854
1-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 121170425

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The IUPAC name of 1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (CID 138039638) is 1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.
What is the SMILES notation for 1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The canonical SMILES for 1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is CC(=O)N1CCn2ncc(I)c2C1.
What is the InChIKey of 1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The InChIKey is ODOPHILDNOMVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN3O/c1-6(13)11-2-3-12-8(5-11)7(9)4-10-12/h4H,2-3,5H2,1H3.
What are the key properties of 1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone has a molecular weight of 291.09 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is sourced from PubChem (CID 138039638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).