1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone

C10H14IN3O — CID 118069328

IUPAC1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone
SMILESCCC1Cn2nc(I)c(C(C)=O)c2CN1
InChIInChI=1S/C10H14IN3O/c1-3-7-5-14-8(4-12-7)9(6(2)15)10(11)13-14/h7,12H,3-5H2,1-2H3
InChIKeyZJVZFDZVPDMKPP-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.57
Rot. Bonds2

About 1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone

1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone (PubChem CID 118069328) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone
PubChem CID118069328
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone
SMILESCCC1Cn2nc(I)c(C(C)=O)c2CN1
InChIInChI=1S/C10H14IN3O/c1-3-7-5-14-8(4-12-7)9(6(2)15)10(11)13-14/h7,12H,3-5H2,1-2H3
InChIKeyZJVZFDZVPDMKPP-UHFFFAOYSA-N
XLogP1.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 64978233
(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-6-yl)methanol
CID 84661188
(5S)-5-ethylpiperazin-2-one
CID 93005355
2,5-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 64978298
(2R,6S)-10-ethyl-11-iodo-4-oxa-1,7,12-triazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 118069335
(2,5-diethylpiperazin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 64978507
1-(2,5-diethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 64978366
(2R)-2-ethyl-4-methyl-1,4-diazepan-5-one
CID 58093300
1-(2,5-diethylpiperazin-1-yl)butan-1-one
CID 64977925
(6S)-3-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 160897353
3-ethyl-1-(3-methylbut-2-enyl)piperazine
CID 107901348
2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid
CID 83488671

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone?
The IUPAC name of 1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone (CID 118069328) is 1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone.
What is the SMILES notation for 1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone?
The canonical SMILES for 1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone is CCC1Cn2nc(I)c(C(C)=O)c2CN1.
What is the InChIKey of 1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone?
The InChIKey is ZJVZFDZVPDMKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-3-7-5-14-8(4-12-7)9(6(2)15)10(11)13-14/h7,12H,3-5H2,1-2H3.
What are the key properties of 1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone?
1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone has a molecular weight of 319.15 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)ethanone is sourced from PubChem (CID 118069328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).