7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one

C6H4IN3O — CID 155821807

IUPAC7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]cc(I)n2nccc12
InChIInChI=1S/C6H4IN3O/c7-5-3-8-6(11)4-1-2-9-10(4)5/h1-3H,(H,8,11)
InChIKeyRFPPDMRHTTXCQO-UHFFFAOYSA-N
MW261.02 g/mol
LogP0.63
Rot. Bonds

About 7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one

7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 155821807) has the molecular formula C6H4IN3O and a molecular weight of 261.02 g/mol. Its IUPAC name is 7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID155821807
Molecular FormulaC6H4IN3O
Molecular Weight261.02 g/mol
Exact Mass260.94
IUPAC Name7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1[nH]cc(I)n2nccc12
InChIInChI=1S/C6H4IN3O/c7-5-3-8-6(11)4-1-2-9-10(4)5/h1-3H,(H,8,11)
InChIKeyRFPPDMRHTTXCQO-UHFFFAOYSA-N
XLogP0.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.02
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
4H,5H-pyrazolo(1,5-d)(1,2,4)triazin-4-one
CID 585782
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 55276477
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
methyl 4-oxo-4H,5H-pyrazolo[1,5-a]pyrazine-7-carboxylate
CID 154872964
4-oxo-4H,5H-pyrazolo(1,5-a)pyrazine-7-carboxylic acid
CID 154872965
3-bromo-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 84048315
6-methyl-4H,5H-pyrazolo(1,5-a)pyrazin-4-one
CID 126694545

Frequently Asked Questions

What is the IUPAC name of 7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 155821807) is 7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one is O=c1[nH]cc(I)n2nccc12.
What is the InChIKey of 7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RFPPDMRHTTXCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3O/c7-5-3-8-6(11)4-1-2-9-10(4)5/h1-3H,(H,8,11).
What are the key properties of 7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one?
7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 261.02 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 155821807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).