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

C19H16N6O2 — CID 136509821

IUPAC5-(1-ethylindazol-5-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2cc(-c3cc(=O)n4[nH]cc(-c5cc(C)no5)c4n3)ccc21
InChIInChI=1S/C19H16N6O2/c1-3-24-16-5-4-12(7-13(16)9-20-24)15-8-18(26)25-19(22-15)14(10-21-25)17-6-11(2)23-27-17/h4-10,21H,3H2,1-2H3
InChIKeyBFMMPMKCVXRMCA-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.02
Rot. Bonds3

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

5-(1-ethylindazol-5-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 136509821) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 5-(1-ethylindazol-5-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-ethylindazol-5-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID136509821
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name5-(1-ethylindazol-5-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2cc(-c3cc(=O)n4[nH]cc(-c5cc(C)no5)c4n3)ccc21
InChIInChI=1S/C19H16N6O2/c1-3-24-16-5-4-12(7-13(16)9-20-24)15-8-18(26)25-19(22-15)14(10-21-25)17-6-11(2)23-27-17/h4-10,21H,3H2,1-2H3
InChIKeyBFMMPMKCVXRMCA-UHFFFAOYSA-N
XLogP3.02
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.02
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-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-ethylindazol-5-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 136509821) is 5-(1-ethylindazol-5-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-ethylindazol-5-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-ethylindazol-5-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCn1ncc2cc(-c3cc(=O)n4[nH]cc(-c5cc(C)no5)c4n3)ccc21.
What is the InChIKey of 5-(1-ethylindazol-5-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BFMMPMKCVXRMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-3-24-16-5-4-12(7-13(16)9-20-24)15-8-18(26)25-19(22-15)14(10-21-25)17-6-11(2)23-27-17/h4-10,21H,3H2,1-2H3.
What are the key properties of 5-(1-ethylindazol-5-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-ethylindazol-5-yl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 360.38 g/mol, XLogP of 3.02, 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-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 136509821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).