ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

C13H11N3O4 — CID 784776

IUPACethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3ccco3)[nH]n2c1=O
InChIInChI=1S/C13H11N3O4/c1-2-19-13(18)8-7-14-11-6-9(10-4-3-5-20-10)15-16(11)12(8)17/h3-7,15H,2H2,1H3
InChIKeyAUIHROACAHSTNV-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.46
Rot. Bonds3

About ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 784776) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID784776
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Nameethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(-c3ccco3)[nH]n2c1=O
InChIInChI=1S/C13H11N3O4/c1-2-19-13(18)8-7-14-11-6-9(10-4-3-5-20-10)15-16(11)12(8)17/h3-7,15H,2H2,1H3
InChIKeyAUIHROACAHSTNV-UHFFFAOYSA-N
XLogP1.46
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 784776) is ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(-c3ccco3)[nH]n2c1=O.
What is the InChIKey of ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is AUIHROACAHSTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-2-19-13(18)8-7-14-11-6-9(10-4-3-5-20-10)15-16(11)12(8)17/h3-7,15H,2H2,1H3.
What are the key properties of ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 273.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 784776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).