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

C19H16N6O2 — CID 90109494

IUPAC5-(1-ethylindazol-5-yl)-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2cc(-c3cc(=O)n4[nH]c(C)c(-c5ncco5)c4n3)ccc21
InChIInChI=1S/C19H16N6O2/c1-3-24-15-5-4-12(8-13(15)10-21-24)14-9-16(26)25-18(22-14)17(11(2)23-25)19-20-6-7-27-19/h4-10,23H,3H2,1-2H3
InChIKeyVOSCUUGZOKEOKZ-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.02
Rot. Bonds3

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

5-(1-ethylindazol-5-yl)-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 90109494) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 5-(1-ethylindazol-5-yl)-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-ethylindazol-5-yl)-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID90109494
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name5-(1-ethylindazol-5-yl)-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2cc(-c3cc(=O)n4[nH]c(C)c(-c5ncco5)c4n3)ccc21
InChIInChI=1S/C19H16N6O2/c1-3-24-15-5-4-12(8-13(15)10-21-24)14-9-16(26)25-18(22-14)17(11(2)23-25)19-20-6-7-27-19/h4-10,23H,3H2,1-2H3
InChIKeyVOSCUUGZOKEOKZ-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)-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-ethylindazol-5-yl)-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 90109494) is 5-(1-ethylindazol-5-yl)-2-methyl-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)-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-ethylindazol-5-yl)-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCn1ncc2cc(-c3cc(=O)n4[nH]c(C)c(-c5ncco5)c4n3)ccc21.
What is the InChIKey of 5-(1-ethylindazol-5-yl)-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VOSCUUGZOKEOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-3-24-15-5-4-12(8-13(15)10-21-24)14-9-16(26)25-18(22-14)17(11(2)23-25)19-20-6-7-27-19/h4-10,23H,3H2,1-2H3.
What are the key properties of 5-(1-ethylindazol-5-yl)-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-ethylindazol-5-yl)-2-methyl-3-(1,3-oxazol-2-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)-2-methyl-3-(1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 90109494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).