5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H14N6O2 — CID 90110771

IUPAC5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2cc(-c3cc(=O)n4[nH]cc(-c5ncco5)c4n3)ccc21
InChIInChI=1S/C18H14N6O2/c1-2-23-15-4-3-11(7-12(15)9-20-23)14-8-16(25)24-17(22-14)13(10-21-24)18-19-5-6-26-18/h3-10,21H,2H2,1H3
InChIKeyAQIXFJRNTJYSQC-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.71
Rot. Bonds3

About 5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 90110771) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID90110771
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2cc(-c3cc(=O)n4[nH]cc(-c5ncco5)c4n3)ccc21
InChIInChI=1S/C18H14N6O2/c1-2-23-15-4-3-11(7-12(15)9-20-23)14-8-16(25)24-17(22-14)13(10-21-24)18-19-5-6-26-18/h3-10,21H,2H2,1H3
InChIKeyAQIXFJRNTJYSQC-UHFFFAOYSA-N
XLogP2.71
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 90110771) is 5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCn1ncc2cc(-c3cc(=O)n4[nH]cc(-c5ncco5)c4n3)ccc21.
What is the InChIKey of 5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AQIXFJRNTJYSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-2-23-15-4-3-11(7-12(15)9-20-23)14-8-16(25)24-17(22-14)13(10-21-24)18-19-5-6-26-18/h3-10,21H,2H2,1H3.
What are the key properties of 5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 346.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylindazol-5-yl)-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 90110771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).