7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C9H10IN3O — CID 137004252

IUPAC7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1cc(=O)[nH]c2c(I)c(C)nn12
InChIInChI=1S/C9H10IN3O/c1-3-6-4-7(14)11-9-8(10)5(2)12-13(6)9/h4H,3H2,1-2H3,(H,11,14)
InChIKeyIYQFAZPSJKRWLQ-UHFFFAOYSA-N
MW303.10 g/mol
LogP1.50
Rot. Bonds1

About 7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137004252) has the molecular formula C9H10IN3O and a molecular weight of 303.10 g/mol. Its IUPAC name is 7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137004252
Molecular FormulaC9H10IN3O
Molecular Weight303.10 g/mol
Exact Mass302.99
IUPAC Name7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1cc(=O)[nH]c2c(I)c(C)nn12
InChIInChI=1S/C9H10IN3O/c1-3-6-4-7(14)11-9-8(10)5(2)12-13(6)9/h4H,3H2,1-2H3,(H,11,14)
InChIKeyIYQFAZPSJKRWLQ-UHFFFAOYSA-N
XLogP1.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137004252) is 7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCc1cc(=O)[nH]c2c(I)c(C)nn12.
What is the InChIKey of 7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is IYQFAZPSJKRWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3O/c1-3-6-4-7(14)11-9-8(10)5(2)12-13(6)9/h4H,3H2,1-2H3,(H,11,14).
What are the key properties of 7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 303.10 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137004252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).