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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Related Compounds

3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137004272
sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 158965960
ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate
CID 131987884
7-hydroxy-3-iodo-2-methyl-6-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137004248
4-(3,5-diethylpyrazol-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136989873
1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135686640
2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137004097
N,N-diethyl-2-[(5-ethyl-7-oxo-8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
CID 136637022
3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 159646342
N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137018316
3-cyclopropyl-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137251754
4-(chloromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135562164

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).