ethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate

C13H15N3O3 — CID 86702936

IUPACethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1cnc2cc(C3CC3)[nH]n2c1=O
InChIInChI=1S/C13H15N3O3/c1-2-19-12(17)5-9-7-14-11-6-10(8-3-4-8)15-16(11)13(9)18/h6-8,15H,2-5H2,1H3
InChIKeyVQXOBLHOMALOBH-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.01
Rot. Bonds4

About ethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate

ethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 86702936) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID86702936
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1cnc2cc(C3CC3)[nH]n2c1=O
InChIInChI=1S/C13H15N3O3/c1-2-19-12(17)5-9-7-14-11-6-10(8-3-4-8)15-16(11)13(9)18/h6-8,15H,2-5H2,1H3
InChIKeyVQXOBLHOMALOBH-UHFFFAOYSA-N
XLogP1.01
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of ethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 86702936) is ethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for ethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate is CCOC(=O)Cc1cnc2cc(C3CC3)[nH]n2c1=O.
What is the InChIKey of ethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is VQXOBLHOMALOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-19-12(17)5-9-7-14-11-6-10(8-3-4-8)15-16(11)13(9)18/h6-8,15H,2-5H2,1H3.
What are the key properties of ethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
ethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 261.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 86702936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).