ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate

C12H15N3O4 — CID 162686047

IUPACethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nn2c(O)cc(=O)[nH]c2c1C(C)C
InChIInChI=1S/C12H15N3O4/c1-4-19-12(18)10-9(6(2)3)11-13-7(16)5-8(17)15(11)14-10/h5-6,17H,4H2,1-3H3,(H,13,16)
InChIKeyQLQONRMCUXUPEK-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.03
Rot. Bonds3

About ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 162686047) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID162686047
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Nameethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1nn2c(O)cc(=O)[nH]c2c1C(C)C
InChIInChI=1S/C12H15N3O4/c1-4-19-12(18)10-9(6(2)3)11-13-7(16)5-8(17)15(11)14-10/h5-6,17H,4H2,1-3H3,(H,13,16)
InChIKeyQLQONRMCUXUPEK-UHFFFAOYSA-N
XLogP1.03
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 162686047) is ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1nn2c(O)cc(=O)[nH]c2c1C(C)C.
What is the InChIKey of ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is QLQONRMCUXUPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-4-19-12(18)10-9(6(2)3)11-13-7(16)5-8(17)15(11)14-10/h5-6,17H,4H2,1-3H3,(H,13,16).
What are the key properties of ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 265.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 162686047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).