ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C12H15N3O3 — CID 137004216

IUPACethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(CC)c(C)c(=O)[nH]c12
InChIInChI=1S/C12H15N3O3/c1-4-9-7(3)11(16)14-10-8(6-13-15(9)10)12(17)18-5-2/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyVAPWTNLFYPYGND-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.07
Rot. Bonds3

About ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137004216) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137004216
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Nameethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(CC)c(C)c(=O)[nH]c12
InChIInChI=1S/C12H15N3O3/c1-4-9-7(3)11(16)14-10-8(6-13-15(9)10)12(17)18-5-2/h6H,4-5H2,1-3H3,(H,14,16)
InChIKeyVAPWTNLFYPYGND-UHFFFAOYSA-N
XLogP1.07
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136869083
ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
CID 137251710
ethyl 4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
CID 135441508
ethyl 6-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 113225230
fluoro 6-fluoro-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155745860
ethyl 5-amino-1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carboxylate
CID 135912919
diethyl 4-amino-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3,8-dicarboxylate
CID 137278990
ethyl 1-methyl-5-methylsulfonylpyrazole-4-carboxylate
CID 58486417
ethyl 5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 903864
ethyl 1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135692708
ethyl 6,7-dimethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 137004177
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450

Frequently Asked Questions

What is the IUPAC name of ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137004216) is ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(CC)c(C)c(=O)[nH]c12.
What is the InChIKey of ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is VAPWTNLFYPYGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-4-9-7(3)11(16)14-10-8(6-13-15(9)10)12(17)18-5-2/h6H,4-5H2,1-3H3,(H,14,16).
What are the key properties of ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-ethyl-6-methyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137004216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).