ethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate

C16H15N3O3 — CID 548838

IUPACethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C16H15N3O3/c1-2-22-16(21)9-12-8-15(20)19-14(17-12)10-13(18-19)11-6-4-3-5-7-11/h3-8,10,18H,2,9H2,1H3
InChIKeyJVAMXEHBSQUEQS-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.80
Rot. Bonds4

About ethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate

ethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate (PubChem CID 548838) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate
PubChem CID548838
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Nameethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1
InChIInChI=1S/C16H15N3O3/c1-2-22-16(21)9-12-8-15(20)19-14(17-12)10-13(18-19)11-6-4-3-5-7-11/h3-8,10,18H,2,9H2,1H3
InChIKeyJVAMXEHBSQUEQS-UHFFFAOYSA-N
XLogP1.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate (CID 548838) is ethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate is CCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1.
What is the InChIKey of ethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate?
The InChIKey is JVAMXEHBSQUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-22-16(21)9-12-8-15(20)19-14(17-12)10-13(18-19)11-6-4-3-5-7-11/h3-8,10,18H,2,9H2,1H3.
What are the key properties of ethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate?
ethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate has a molecular weight of 297.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-oxo-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetate is sourced from PubChem (CID 548838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).