ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate

C15H14N4O3 — CID 736276

IUPACethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C15H14N4O3/c1-2-22-13(20)9-18-10-16-14-12(15(18)21)8-17-19(14)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3
InChIKeyQGCCCWOHGNWDSL-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.15
Rot. Bonds4

About ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate

ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate (PubChem CID 736276) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate
PubChem CID736276
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Nameethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C15H14N4O3/c1-2-22-13(20)9-18-10-16-14-12(15(18)21)8-17-19(14)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3
InChIKeyQGCCCWOHGNWDSL-UHFFFAOYSA-N
XLogP1.15
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate (CID 736276) is ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate is CCOC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate?
The InChIKey is QGCCCWOHGNWDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-2-22-13(20)9-18-10-16-14-12(15(18)21)8-17-19(14)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate?
ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate has a molecular weight of 298.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate is sourced from PubChem (CID 736276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).